⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21205525 | 0.71 | HCAR2 (0.32) | — | |
| SCHEMBL28969686 | 0.64 | — | — | |
| SCHEMBL28800791 | 0.61 | HCAR2 (0.32) | — | |
| SCHEMBL28842099 | 0.61 | KCNH2 (0.30) | — | |
| SCHEMBL28542963 | 0.60 | PDE1B (0.39) | — | |
| SCHEMBL28621984 | 0.59 | — | — | |
| SCHEMBL2551076 | 0.57 | — | — | |
| SCHEMBL9658742 | 0.57 | — | — | |
| SCHEMBL28704256 | 0.56 | BRD4 (0.32) | — | |
| SCHEMBL27984 | 0.55 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105934430-A | Method for preparing 1-alkyl-3-difluoromethyl-5-fluor-1H-pyrazole-4-carbaldehydes and 1-alkyl-3-difluoromethyl-5-fluor-1H-pyrazole-4-carboxylates | 拜耳作物科学股份公司 | 2016-09-07 | — | — | CN | disclosed |
| CN-103140477-A | Process for preparing 5-fluoro-1-alkyl-3-fluoroalkyl-1h-pyrazole-4-carbonyl chlorides and fluorides | BAYER CROPSCIENCE AG | 2013-06-05 | — | — | CN | disclosed |