⚠ 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 | |
|---|---|---|---|---|
| Butyl Alcohol SCHEMBL28777079 | 0.87 | — | — | |
| Butyl Alcohol SCHEMBL3629849 | 0.84 | — | — | |
| Butyl Alcohol SCHEMBL5571431 | 0.84 | ALDH1A1 (0.73) | — | |
| Butyl Alcohol SCHEMBL195732 | 0.84 | — | — | |
| Butyl Alcohol SCHEMBL27658021 | 0.83 | — | — | |
| Isopropylamine SCHEMBL8065733 | 0.83 | — | — | |
| Butyl Alcohol SCHEMBL27776562 | 0.83 | ALDH1A1 (0.85) | — | |
| Butyl Alcohol SCHEMBL1524641 | 0.83 | — | — | |
| Butyl Alcohol SCHEMBL532 | 0.83 | — | — | |
| Butyl Alcohol SCHEMBL29688387 | 0.83 | — | — |
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-106793967-A | Portable heart movement monitor | 卡迪亚克运动有限责任公司 | 2017-05-31 | — | — | CN | disclosed |
| CN-103814055-B | Epoxy functional resins's compositions | 蓝立方知识产权有限责任公司 | 2016-10-12 | — | — | CN | disclosed |