⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15057126 | 0.79 | GAA (0.35) | — | |
| SCHEMBL28222418 | 0.77 | NOTUM (0.33) | — | |
| SCHEMBL5951752 | 0.74 | HCAR2 (0.37) | — | |
| SCHEMBL29086057 | 0.73 | GABRR1 (0.39) | — | |
| SCHEMBL28284759 | 0.73 | — | — | |
| SCHEMBL20268740 | 0.73 | NOTUM (0.33) | — | |
| SCHEMBL747711 | 0.72 | HCAR2 (0.32) | — | |
| SCHEMBL20524643 | 0.70 | HCAR2 (0.46) | — | |
| SCHEMBL971141 | 0.70 | HCAR2 (0.42) | — | |
| SCHEMBL25352337 | 0.69 | PRKAB2 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1854788-B1 | METHOD FOR PRODUCING 1-SUBSTITUTED-3-FLUOROALKYL PYRAZOLE-4-CARBOXYLATE | SAGAMI CHEM RES (JP) | 2012-06-13 | — | — | EP | disclosed |
| US-7863460-B2 | Process for producing 1-substituted-3-fluoroalkylpyrazole-4-carboxylate | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 2011-01-04 | — | — | US | disclosed |
| US-20080154045-A1 | Process for Producing 1-Substituted-3-Fluoroalkylpyrazole-4-Carboxylate | SAGAMI CHEMICAL RESEARCKH CENTER (JP) | 2008-06-26 | — | — | US | disclosed |
| EP-1854788-A1 | METHOD FOR PRODUCING 1-SUBSTITUTED-3-FLUOROALKYL PYRAZOLE-4-CARBOXYLATE | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 2007-11-14 | — | — | EP | disclosed |