⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1553497 | 0.73 | — | — | |
| SCHEMBL5354402 | 0.68 | — | — | |
| SCHEMBL5360734 | 0.68 | — | — | |
| SCHEMBL10405712 | 0.67 | KMT2A (0.34) | — | |
| SCHEMBL5356419 | 0.65 | GAA (0.34) | — | |
| SCHEMBL5358223 | 0.65 | — | — | |
| SCHEMBL10405981 | 0.64 | MEN1 (0.38) | — | |
| SCHEMBL122515 | 0.62 | — | — | |
| SCHEMBL9368413 | 0.59 | — | — | |
| SCHEMBL21246078 | 0.58 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1553096-B1 | PYRAZOLE COMPOUNDS | UBE INDUSTRIES (JP) | 2012-10-31 | — | — | EP | claimed |
| US-7294625-B2 | Pyrazole compounds | UBE INDUSTRIES, LTD. (JP) | 2007-11-13 | — | — | US | claimed |
| US-20060063934-A1 | 3-Pyridazonyl- or triazolopyridazinyl- 4-pyridinyl- or pyrimidinyl- pyrazoles, e.g., 4-(2-aminopyridin-4-yl)-3-phenyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazole; p38MAP kinase inhibitors, used to treat rheumatoid arthritis | UBE INDUSTRIES, LTD. (JP) | 2006-03-23 | — | — | US | claimed |
| EP-1553096-A1 | PYRAZOLE COMPOUNDS | Ube Industries, Ltd. (JP) | 2005-07-13 | — | — | EP | claimed |
| EP-1553096-B1 | PYRAZOLE COMPOUNDS | UBE INDUSTRIES (JP) | 2012-10-31 | — | — | EP | disclosed |
| US-7294625-B2 | Pyrazole compounds | UBE INDUSTRIES, LTD. (JP) | 2007-11-13 | — | — | US | disclosed |
| US-20060063934-A1 | 3-Pyridazonyl- or triazolopyridazinyl- 4-pyridinyl- or pyrimidinyl- pyrazoles, e.g., 4-(2-aminopyridin-4-yl)-3-phenyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazole; p38MAP kinase inhibitors, used to treat rheumatoid arthritis | UBE INDUSTRIES, LTD. (JP) | 2006-03-23 | — | — | US | disclosed |
| EP-1553096-A1 | PYRAZOLE COMPOUNDS | Ube Industries, Ltd. (JP) | 2005-07-13 | — | — | EP | disclosed |