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SureChEMBL
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  • AVAILABLE DATA SOURCES
  • PATENT VIEW
  • TEXT SEARCH
    • Search interface overview
    • Simple patent query overview
    • Complex Solr search
    • Patents with small molecules filter
    • Date filter
    • Query assistant
    • Solr query field names and examples
    • Patent number search format
  • CHEMICAL SEARCH
    • Structure drawing
    • Insert a SMILES, SMARTS, MOL, or Name Entry
    • Structure search type
    • Similarity Search, Tanimoto Coefficient and Fingerprint Generation
    • Filter by molecular weight
    • Search for structure in document section(s)
    • SMARTS search
  • PATENT ANNOTATION
    • Chemistry annotations
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  • API
    • API documentation
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    • Bulk data
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      • MAP files
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  1. CHEMICAL SEARCH

Insert a SMILES, SMARTS, MOL, or Name Entry

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Last updated 7 days ago

In addition to manually sketching a structure, SureChEMBL provides an alternative way to begin a chemistry search.

  • Using your preferred drawing tool, create and copy the structure on which to search. You may also copy a SMILES, SMARTS, MOL file, CML, or chemical name.

  • On the SureChEMBL landing page, click on the the button "BY STRUCTURE" to open MarvinJS sketcher.

  • Assuming you already have the structure in your system clipboard, use the Paste shortcut (ctrl+V or cmd+V).

  • Alternatively, click on the Folder icon of the sketcher (second from the top left) and paste it in the Import window.

  • The structure will appear in the drawing pane.