⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8338507 | 0.92 | PDE4A (0.31) | — | |
| SCHEMBL9856892 | 0.90 | KDM4E (0.32) | — | |
| SCHEMBL27846988 | 0.90 | PPOX (0.30) | — | |
| SCHEMBL3725606 | 0.89 | KDM4E (0.31) | — | |
| Pyraflufen-Ethyl SCHEMBL29480904 | 0.85 | PPOX (0.44) | — | |
| Pyraflufen-Ethyl SCHEMBL53390 | 0.85 | PPOX (0.44) | — | |
| SCHEMBL9857318 | 0.85 | LMNA (0.44) | — | |
| SCHEMBL985753 | 0.85 | PPARA (0.32) | — | |
| SCHEMBL38952 | 0.84 | TDP1 (0.36) | — | |
| SCHEMBL4898211 | 0.84 | TDP1 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5032165-A | 3-(substituted phenyl)pyrazole derivatives, salts thereof, and herbicides therefrom | NIHON NOHYAKU COMPANY, LTD. (JP) | 1991-07-16 | — | — | US | claimed |
| EP-0361114-A1 | 3-(Substituted phenyl) pyrazole derivatives, salts thereof, herbicides therefrom, and process for producing said derivatives or salts | NIHON NOHYAKU CO., LTD. (JP) | 1990-04-04 | — | — | EP | claimed |