⚠ 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 SCHEMBL27542141 | 0.91 | — | — | |
| Allyl Alcohol SCHEMBL620008 | 0.91 | — | — | |
| Allyl Alcohol SCHEMBL9845385 | 0.91 | — | — | |
| Allyl Alcohol SCHEMBL252427 | 0.91 | — | — | |
| Allyl Alcohol SCHEMBL7157023 | 0.91 | — | — | |
| Allyl Alcohol SCHEMBL1332489 | 0.87 | — | — | |
| Allyl Alcohol SCHEMBL1331425 | 0.87 | — | — | |
| Allyl Alcohol SCHEMBL4940557 | 0.87 | — | — | |
| Allyl Alcohol SCHEMBL3782 | 0.87 | — | — | |
| Allyl Alcohol SCHEMBL5668268 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115558323-A | Antibacterial polytitanium azane coating composition and preparation method thereof | 宁波激智科技股份有限公司 | 2023-01-03 | — | — | CN | disclosed |