⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1041213 | 0.86 | ADH1B (0.34) | — | |
| SCHEMBL5179120 | 0.79 | — | — | |
| SCHEMBL3178065 | 0.73 | — | — | |
| SCHEMBL5462678 | 0.69 | ADH1B (0.39) | — | |
| SCHEMBL4675936 | 0.69 | — | — | |
| SCHEMBL491636 | 0.69 | — | — | |
| SCHEMBL9697171 | 0.67 | ADH1B (0.36) | — | |
| SCHEMBL6766085 | 0.67 | ADH1B (0.36) | — | |
| SCHEMBL7867524 | 0.65 | — | — | |
| SCHEMBL491261 | 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 |
|---|---|---|---|---|---|---|---|
| EP-2261216-A2 | Pyrazoles as glucokinase activators | F. Hoffmann-La Roche AG (CH) | 2010-12-15 | — | — | EP | claimed |
| US-20080021032-A1 | Pyrazole glucokinase activators | BERTHEL STEVEN JOSEPH | 2008-01-24 | — | — | US | claimed |
| EP-2261216-A2 | Pyrazoles as glucokinase activators | F. Hoffmann-La Roche AG (CH) | 2010-12-15 | — | — | EP | disclosed |
| EP-2046755-A2 | PYRAZOLES AS GLUCOKINASE ACTIVATORS | F. Hoffmann-Roche AG (CH) | 2009-04-15 | — | — | EP | disclosed |
| WO-2008012227-A2 | PYRAZOLES AS GLUCOKINASE ACTIVATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-01-31 | — | — | WO | disclosed |