⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11841772 | 0.68 | — | — | |
| SCHEMBL1072036 | 0.67 | ALDH1A1 (0.35) | — | |
| SCHEMBL7268279 | 0.67 | ALDH1A1 (0.43) | — | |
| SCHEMBL24211656 | 0.67 | ALDH1A1 (0.35) | — | |
| SCHEMBL11241293 | 0.67 | — | — | |
| SCHEMBL7651462 | 0.65 | ALDH1A1 (0.34) | — | |
| SCHEMBL8438655 | 0.64 | LMNA (0.44) | — | |
| SCHEMBL7653958 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL2380957 | 0.62 | — | — | |
| SCHEMBL1345239 | 0.62 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105585563-A | 1-(benzofuran-5-yl)-3-phenyl-2-(1,2,4-triazol-1-yl)propenol and application thereof | UNIV HUNAN | 2016-05-18 | — | — | CN | claimed |
| CN-105859697-B | 1- benzofuranols ether -3- phenyl -2- (1,2,4- triazol-1-yls) -2- propenyls and its application | 湖南大学 | 2018-05-04 | — | — | CN | disclosed |
| CN-104557888-B | Application of furan phenol allyl alcohol derivative used as herbicide | 邵阳学院 | 2017-02-15 | — | — | CN | disclosed |
| CN-105585563-A | 1-(benzofuran-5-yl)-3-phenyl-2-(1,2,4-triazol-1-yl)propenol and application thereof | UNIV HUNAN | 2016-05-18 | — | — | CN | disclosed |