Find Substances Using a Chemical Structure

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To find substances by chemical structure, first draw or upload a structure query. To begin, click the Draw button in the search field to open the structure editor.


Select the preferred structure editor from the menu in the upper-left corner. Using CAS Draw or ChemDoodle, you have the option to import a structure with CAS Draw, ChemDoodle, or ChemDraw or draw a structure query using CAS Draw or ChemDoodle.


The search will retrieve substances that include the structure you draw, either as a complete structure or as substructure. You can apply substructure query features to narrow or broaden the search for the substructures embedded in the substances matched. When the query is complete, click the OK button.


If needed, you can click Edit Drawing to return to the Structure Editor, or Remove to delete the structure query. Click the magnifying glass to submit the query.

Note: To conduct a Patent Markush search for patents that contain generic structures that match the structure query, check the box for Search Patent Markush. The results for this type of search will be displayed on the References page. See Find Patent Markush References for more information.