⚠ 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 | |
|---|---|---|---|---|
| 1,4-Butanediol SCHEMBL28190490 | 0.93 | SMN1; SMN2 (0.62) | — | |
| Butyl Alcohol SCHEMBL7417514 | 0.90 | — | — | |
| Propanol SCHEMBL5398171 | 0.85 | — | — | |
| Ethylene Glycol SCHEMBL9004896 | 0.85 | — | — | |
| SCHEMBL28201031 | 0.82 | ALDH1A1 (0.45) | — | |
| 1,3-Propanediol SCHEMBL14325912 | 0.81 | — | — | |
| 1,3-Propanediol SCHEMBL1791430 | 0.81 | — | — | |
| Alcohol SCHEMBL3386019 | 0.81 | — | — | |
| Butyl Alcohol SCHEMBL28310758 | 0.79 | — | — | |
| Alcohol SCHEMBL28213232 | 0.79 | — | — |
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-102414308-B | Solvent, solution, Cleasing compositions and method | GF生化有限公司 | 2016-12-21 | — | — | CN | disclosed |