⚠ 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 | |
|---|---|---|---|---|
| Butanone SCHEMBL8059306 | 0.89 | — | — | |
| Butanone SCHEMBL1039820 | 0.84 | ALDH1A1 (1.00) | — | |
| Butanone SCHEMBL8379087 | 0.84 | ALDH1A1 (1.00) | — | |
| Butanone SCHEMBL1310 | 0.84 | — | — | |
| Butanone SCHEMBL1510153 | 0.84 | — | — | |
| Butanone SCHEMBL28514267 | 0.83 | — | — | |
| Butanone SCHEMBL8446818 | 0.83 | ALDH1A1 (0.67) | — | |
| Butanone SCHEMBL2892085 | 0.81 | — | — | |
| Butanone SCHEMBL22405658 | 0.81 | — | — | |
| Butanone SCHEMBL5386702 | 0.81 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117757123-A | Electrolytic tank with graphene coating and preparation method thereof | 北京世博金都医药科技发展有限公司 | 2024-03-26 | — | — | CN | claimed |
| CN-117757123-A | Electrolytic tank with graphene coating and preparation method thereof | 北京世博金都医药科技发展有限公司 | 2024-03-26 | — | — | CN | disclosed |
| CN-107880740-B | Flame-retardant glass flake daub and preparation method thereof | 武汉博奇玉宇环保股份有限公司 | 2021-03-30 | — | — | CN | disclosed |