⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL249642 | 0.73 | — | — | |
| Butane SCHEMBL4969720 | 0.62 | KMT2A (0.38) | — | |
| SCHEMBL4724091 | 0.61 | — | — | |
| SCHEMBL1691785 | 0.59 | — | — | |
| SCHEMBL4919483 | 0.59 | — | — | |
| Propane SCHEMBL28568051 | 0.58 | MEN1 (0.39) | — | |
| SCHEMBL164151 | 0.56 | — | — | |
| SCHEMBL15367238 | 0.56 | — | — | |
| Butane SCHEMBL4155411 | 0.55 | HIF1A (0.46) | — | |
| SCHEMBL2309435 | 0.55 | KDM4E (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20050197338-A1 | Substituted pyrazole urea compounds for the treatment of inflammation | PHARMACIA AND UPJOHN COMPANY LLC | 2005-09-08 | — | — | US | claimed |
| WO-2005037797-A1 | SUBSTITUTED PYRAZOLE UREA COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | PHARMACIA CORPORATION (US) | 2005-04-28 | — | — | WO | claimed |
| US-20050197338-A1 | Substituted pyrazole urea compounds for the treatment of inflammation | PHARMACIA AND UPJOHN COMPANY LLC | 2005-09-08 | — | — | US | disclosed |
| WO-2005037797-A1 | SUBSTITUTED PYRAZOLE UREA COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | PHARMACIA CORPORATION (US) | 2005-04-28 | — | — | WO | disclosed |