Task tutorial

Compare two molecules with ECFP4 similarity

Compare two structures locally with the same ECFP4 fingerprint settings and inspect the resulting Tanimoto score.

You will make

A repeatable similarity comparison with both input SMILES retained beside the score.

Steps

Open the interactive feature examples on the homepage.
Keep aspirin as the query and use O=C(O)c1ccccc1O as the comparison molecule.
Run the comparison and record the two inputs, fingerprint setting, and reported score together.

Query:     CC(=O)OC1=CC=CC=C1C(=O)O
Reference: O=C(O)c1ccccc1O
Fingerprint: ECFP4

Expected result

The page reports a local Tanimoto score for the two displayed structures. Repeating the same settings gives the same comparison.

If it does not work

Similarity is sensitive to the fingerprint and settings. A score does not prove biological activity, safety, or synthetic feasibility; retain the inputs and method with every result.

Next action

Open the interactive similarity example