Filter by Structure

You may filter structures to remove unwanted molecules or functional groups, or to focus on a common intermediate. Structures or substructures may either be drawn in a molecule editor, or an exact molecule may be added directly from the results.

Using the molecule editor

• Open the ‘Filter’ tab on the left panel,
• Click on the ‘Molecules and Reactions Filters’ icon,

• Click on the ‘+’ sign next to Structures to open the molecule editor,
• Draw the structure or substructure you want to filter in the molecule editor,
• Select ‘As drawn’ to filter the exact structure, or ‘As substructure’ to filter all structures matching the substructure,
• Alternatively, select ‘Similar’, and pick a number to restrict all similar compounds,
• In the drop-down menu, select ‘Exclude’ if you want to remove the structure from the results, or ‘Limit to’ to see only results containing it,
• Click ‘Apply Filter’.

• The results are filtered accordingly.

The filtered structures are listed in the left panel Filter tab. Hover over the structure thumbnail to see a bigger image. 

You can modify a filtered structure by clicking on the structure thumbnail to open the molecule editor. Remove a filtered structure by clicking on the ‘X’ that appears when hovering over the structure thumbnail.

From a Molecule Card

You can also directly filter an exact structure from the result graph.

• Open the Molecule Card of the corresponding molecule in Path or Graph view,
• At the bottom of the middle section, click on ‘Add filter’ and select ‘Exclude’ or ‘Limit to’ in the drop-down menu,
• Click on the ‘+’ sign,

• The results are filtered accordingly.

The filtered structures are listed in the left panel Filter tab. Hover over the structure thumbnail to see a bigger image.

You can modify a filtered structure by clicking on the structure thumbnail to open the molecule editor. Remove a filtered structure by clicking on the ‘X’ that appears when hovering over the structure thumbnail.