⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL312923 | 0.76 | TP53 (0.33) | — | |
| SCHEMBL6902693 | 0.76 | TP53 (0.46) | — | |
| SCHEMBL25437665 | 0.74 | TP53 (0.32) | — | |
| SCHEMBL10961659 | 0.73 | — | — | |
| SCHEMBL5983546 | 0.73 | ALDH1A1 (0.41) | — | |
| SCHEMBL4995915 | 0.72 | KDM4E (0.31) | — | |
| SCHEMBL10567120 | 0.70 | — | — | |
| Triclofos SCHEMBL125854 | 0.69 | FBP1 (0.38) | — | |
| SCHEMBL20543192 | 0.69 | — | — | |
| SCHEMBL10930154 | 0.69 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5656623-A | BACTERICIDES; ANTIBIOTICS | THE PROCTER & GAMBLE COMPANY (US) | 1997-08-12 | — | — | US | disclosed |