⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14831272 | 0.76 | — | — | |
| SCHEMBL10840451 | 0.71 | DRD2 (0.32) | — | |
| SCHEMBL770764 | 0.70 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL9736803 | 0.70 | — | — | |
| SCHEMBL2824470 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL770161 | 0.68 | DPP4 (0.37) | — | |
| SCHEMBL769747 | 0.68 | ALDH1A1 (0.32) | — | |
| SCHEMBL3264153 | 0.68 | NOTUM (0.36) | — | |
| SCHEMBL771484 | 0.67 | LMNA (0.30) | — | |
| SCHEMBL771465 | 0.67 | LMNA (0.41) | — |
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-7345058-B2 | (1-Methyl-5-phenyl-1H-pyrazol-4-yl)-(trans-octahydro-isoquinolin-2-yl)methanone; 11 beta -hydroxysteroid dehydrogenase inhibitor; upregulation of phosphoenolpyruvate carboxykinase (PEPCK) and glucose-6-phosphatase (G6Pase); antidiabetic agent; type II diabetes mellitus and metabolic syndrome | HOFFMANN-LA ROCHE INC. (US) | 2008-03-18 | — | — | US | disclosed |
| US-20060223852-A1 | Pyrazoles | GILLESPIE PAUL | 2006-10-05 | — | — | US | disclosed |