⚠ 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 SCHEMBL1510153 | 0.95 | — | — | |
| Butanone SCHEMBL8379087 | 0.95 | ALDH1A1 (1.00) | — | |
| Butanone SCHEMBL1039820 | 0.95 | ALDH1A1 (1.00) | — | |
| Butanone SCHEMBL1310 | 0.95 | — | — | |
| Butanone SCHEMBL5386702 | 0.91 | — | — | |
| Butanone SCHEMBL20558041 | 0.91 | — | — | |
| Butanone SCHEMBL2892085 | 0.91 | — | — | |
| Butanone SCHEMBL22405658 | 0.91 | — | — | |
| Butanone SCHEMBL21631022 | 0.91 | — | — | |
| Butanone SCHEMBL17255798 | 0.91 | — | — |
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-111892577-B | Compounds and methods for androgen receptor targeted degradation | 阿尔维纳斯运营股份有限公司 | 2023-07-07 | — | — | CN | disclosed |
| CN-115927229-A | Application of valine dehydrogenase and mutant thereof in preparation of chiral L-amino acid | 中山大学 | 2023-04-07 | — | — | CN | disclosed |
| CN-114668141-A | Composite nutrition powder | 浙江译美生物科技有限公司 | 2022-06-28 | — | — | CN | disclosed |