⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9298002 | 0.81 | — | — | |
| SCHEMBL6793770 | 0.80 | IDO1 (0.52) | — | |
| SCHEMBL4240144 | 0.79 | — | — | |
| SCHEMBL8516248 | 0.77 | HMGCR (0.47) | — | |
| SCHEMBL3703023 | 0.76 | HTR2A (0.32) | — | |
| SCHEMBL9298398 | 0.74 | ALOX5 (0.42) | — | |
| Ammonia Solution, Strong SCHEMBL28304171 | 0.73 | CA1 (0.40) | — | |
| Water SCHEMBL27790537 | 0.73 | CA1 (0.40) | — | |
| SCHEMBL3700645 | 0.73 | TNKS2 (0.43) | — | |
| SCHEMBL149542 | 0.72 | — | — |
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-1884513-A1 | PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME | Japan Tobacco, Inc. (JP) | 2008-02-06 | — | — | EP | claimed |
| US-20070032529-A1 | Pyrazole compounds and their use as antidiabetes agents | JAPAN TOBACCO INC. (JP) | 2007-02-08 | — | — | US | claimed |
| EP-1884513-A1 | PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME | Japan Tobacco, Inc. (JP) | 2008-02-06 | — | — | EP | disclosed |
| US-20070032529-A1 | Pyrazole compounds and their use as antidiabetes agents | JAPAN TOBACCO INC. (JP) | 2007-02-08 | — | — | US | disclosed |