⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6634635 | 0.71 | NQO2 (0.54) | — | |
| SCHEMBL4301481 | 0.71 | — | — | |
| SCHEMBL162040 | 0.70 | TRPM4 (0.48) | — | |
| SCHEMBL6162300 | 0.69 | — | — | |
| SCHEMBL5547978 | 0.68 | CYP1A2 (0.35) | — | |
| SCHEMBL10623525 | 0.67 | MYC (0.31) | — | |
| SCHEMBL9807452 | 0.65 | PLAU (0.47) | — | |
| SCHEMBL30016755 | 0.65 | ERN1 (0.41) | — | |
| SCHEMBL70608 | 0.65 | ALDH1A1 (0.33) | — | |
| SCHEMBL6986503 | 0.64 | ESR1 (0.36) | — |
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-4775747-A | PIGMENTS FOR POLYMERS | CIBA-GEIGY CORPORATION (US) | 1988-10-04 | — | — | US | claimed |