⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19912809 | 0.80 | — | — | |
| SCHEMBL23401889 | 0.77 | HMGCR (0.33) | — | |
| SCHEMBL19385917 | 0.76 | — | — | |
| SCHEMBL23400877 | 0.75 | GABRA1 (0.41) | — | |
| SCHEMBL1387632 | 0.75 | CYP11B2 (0.33) | — | |
| SCHEMBL28181371 | 0.74 | — | — | |
| SCHEMBL28180620 | 0.74 | — | — | |
| SCHEMBL23403140 | 0.74 | TYR (0.39) | — | |
| SCHEMBL4352669 | 0.74 | AKR1B1 (0.39) | — | |
| SCHEMBL27486655 | 0.71 | CYP11B2 (0.33) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107325091-A | A kind of preparation method of benzene pyrazoles humulone | 湖南海利化工股份有限公司 | 2017-11-07 | — | — | CN | disclosed |
| CN-107311980-A | A kind of pyrazolone compound or its salt, intermediate | 青岛清原化合物有限公司 | 2017-11-03 | — | — | CN | disclosed |
| CN-105218449-B | Pyrazolone compound or salt thereof, preparation method, herbicide composition and application | 青岛清原化合物有限公司 | 2017-08-11 | — | — | CN | disclosed |