Morgan ECFP4 · Tanimoto coefficient

Find molecular analogs & safer alternatives

Compare two molecules, or search our database (7K chemicals, 3,381 formulas) for everything that resembles your target. The same algorithm used by Schrödinger and BenevolentAI.

Molecule A — name or SMILES

Molecule B — name or SMILES

Results

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How it works: Each molecule is converted to a Morgan ECFP4 fingerprint (radius = 2, 2048 bits) and the Tanimoto coefficient is computed as |A∩B| / |A∪B|. Tiers: 0.85–1.0 = essentially identical · 0.6–0.85 = close analog · 0.3–0.6 = related family · < 0.3 = different scaffolds. This is the same protocol used in drug discovery and materials science.