⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2511511 | 0.97 | — | — | |
| SCHEMBL7199425 | 0.86 | — | — | |
| SCHEMBL6469263 | 0.67 | CYP3A4 (0.32) | — | |
| SCHEMBL915720 | 0.64 | — | — | |
| SCHEMBL2979101 | 0.63 | — | — | |
| SCHEMBL5365847 | 0.61 | — | — | |
| SCHEMBL827866 | 0.60 | — | — | |
| SCHEMBL1825412 | 0.60 | — | — | |
| SCHEMBL7514487 | 0.58 | — | — | |
| SCHEMBL5397907 | 0.58 | ALDH1A1 (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-5272202-A | Hydrogenation process of unsaturated, nitrile-group-containing polymer and aqueous emulsion of hydrogenated polymer | NIPPON ZEON CO., LTD. (JP) | 1993-12-21 | — | — | US | disclosed |