> For the complete documentation index, see [llms.txt](https://chembl.gitbook.io/surechembl/llms.txt). Markdown versions of documentation pages are available by appending `.md` to page URLs; this page is available as [Markdown](https://chembl.gitbook.io/surechembl/chemical-search/structure-search-type.md).

# Structure search type

There are several approaches to locating chemical structures within patent documents. SureChEMBL focuses on the three most popular methods.

By definition, the examined molecule within a patent is called a ***target***, the structure we seek is called a ***query***, and a target molecule matching the query structure is called a ***hit***.

The following chemical searches are available:

| Search type  | Description                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                    |
| ------------ | ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
| Substructure | <p>Chemists are most often interested in <em><strong>Substructure search</strong></em>, that is, whether a target structure contains the query structure within it.</p><p><em><strong>Note</strong>: If special molecular features are present on the query (eg. stereochemistry, charge, etc.), only those targets containing the feature are considered hits. However, if a feature is missing from the query, it is not checked and targets without that feature may appear as hits.</em></p>                                                                                                                                                                                                                                                                                               |
| Similarity   | <p>A <em><strong>Similarity structure search</strong></em> looks for target structures that are similar to the query structure. The similarity concept implemented is based on hashed binary chemical fingerprints derived using a Tanimoto metric. That is to say, the presence of molecular features are recorded for both the query and the target and then compared using a standard formula.</p><p><em><strong>Note:</strong></em> See <a href="/pages/Pgrd9iKbCIhn36Sastgl">Tanimoto coefficient and fingerprint generation</a> for a complete description of the concept and method used.</p><p><em><strong>Note:</strong></em> <em>If you choose <strong>Similarity</strong> as your search type, you will be prompted to provide a Tanimoto coefficient between 50 and 100%.</em></p> |
| Identical    | In an ***Identical structure search,*** all molecular features need to be equal (e.g. a non-stereo query will only match a non-stereo target).                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                 |
| Connectivity | ***Connectivity search*** retrieves compounds with common atomic connectivity but differing stereochemistry or isotopic forms.                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                 |
