⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29390792 | 0.80 | ALDH1A1 (0.32) | — | |
| SCHEMBL105009 | 0.80 | ALDH1A1 (0.32) | — | |
| SCHEMBL605035 | 0.80 | — | — | |
| SCHEMBL1578024 | 0.80 | — | — | |
| SCHEMBL606668 | 0.76 | — | — | |
| SCHEMBL31423403 | 0.74 | — | — | |
| SCHEMBL11507080 | 0.70 | — | — | |
| SCHEMBL28712015 | 0.69 | CA1 (0.35) | — | |
| SCHEMBL31533292 | 0.65 | — | — | |
| SCHEMBL95309 | 0.65 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090258902-A1 | BIPHENYL-PYRAZOLECARBOXAMIDE COMPOUNDS | CONCERT PHARMACEUTICALS INC. (US) | 2009-10-15 | — | — | US | disclosed |
| US-7514068-B2 | Biphenyl-pyrazolecarboxamide compounds | CONCERT PHARMACEUTICALS INC. (US) | 2009-04-07 | — | — | US | disclosed |
| US-20070276001-A1 | Biphenyl-pyrazolecarboxamide compounds | CONCERT PHARMACEUTICALS INC. (US) | 2007-11-29 | — | — | US | disclosed |
| WO-2007033366-A2 | BIPHENYL-PYRAZOLECARBOXAMIDE COMPOUNDS | CONCERT PHARMACEUTICALS INC. (US) | 2007-03-22 | — | — | WO | disclosed |
| US-20070066657-A1 | obesity, smoking cessation, and normalization of blood lipid composition; reduced rates of hepatic oxidative metabolism, ability to penetrate the blood-brain barrier; 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(trideuteromethyl)-1H-pyrazole-3-carboxylic acid; cannabinoid receptor antagonist | CONCERT PHARMACEUTICALS INC. (US) | 2007-03-22 | — | — | US | disclosed |