⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3482277 | 0.89 | CA12 (0.44) | — | |
| SCHEMBL2895314 | 0.85 | CYP3A4 (0.55) | — | |
| SCHEMBL3482193 | 0.83 | CYP3A4 (0.48) | — | |
| SCHEMBL28836675 | 0.83 | CYP3A4 (0.53) | — | |
| SCHEMBL3713143 | 0.83 | — | — | |
| SCHEMBL16497542 | 0.80 | CYP3A4 (0.41) | — | |
| SCHEMBL16497382 | 0.78 | CA12 (0.33) | — | |
| SCHEMBL10597507 | 0.78 | CYP3A4 (0.48) | — | |
| SCHEMBL27646940 | 0.77 | CYP3A4 (0.31) | — | |
| SCHEMBL12555548 | 0.76 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100354319-C | Hydrogenation catalyst composition and method for hydrogenating conjugate diene polymer | TAIWAN RUBBER CO LTD (CN) | 2007-12-12 | — | — | CN | disclosed |
| CN-1781955-A | Hydrogenation catalyst composition and method for hydrogenating conjugate diene polymer | TAIWAN RUBBER CO LTD (CN) | 2006-06-07 | — | — | CN | disclosed |