⚠ 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 | |
|---|---|---|---|---|
| Allyl Alcohol SCHEMBL4940557 | 0.87 | — | — | |
| Allyl Alcohol SCHEMBL3782 | 0.87 | — | — | |
| Allyl Alcohol SCHEMBL1331425 | 0.87 | — | — | |
| Allyl Alcohol SCHEMBL1332489 | 0.87 | — | — | |
| Allyl Alcohol SCHEMBL1648319 | 0.85 | TSHR (0.64) | — | |
| Allyl Alcohol SCHEMBL4729230 | 0.82 | — | — | |
| Allyl Alcohol SCHEMBL4665160 | 0.82 | — | — | |
| Allyl Alcohol SCHEMBL565195 | 0.82 | — | — | |
| Allyl Alcohol SCHEMBL4654133 | 0.82 | — | — | |
| Allyl Alcohol SCHEMBL4601219 | 0.82 | — | — |
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-120059652-A | Environment-friendly anti-discoloration adhesive with stone adaptability and preparation method thereof | 东莞易施宝建筑材料有限公司 | 2025-05-30 | — | — | CN | disclosed |
| CN-111129583-A | Gel electrolyte and preparation method of lithium ion battery containing gel electrolyte | 河南电池研究院有限公司 | 2020-05-08 | — | — | CN | disclosed |