⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1817486 | 0.87 | EGFR (0.34) | — | |
| SCHEMBL3304381 | 0.83 | LPL (0.33) | — | |
| SCHEMBL3307250 | 0.74 | KDM4E (0.42) | — | |
| SCHEMBL24707511 | 0.72 | LPL (0.35) | — | |
| SCHEMBL21823668 | 0.72 | LPL (0.35) | — | |
| SCHEMBL3312075 | 0.72 | THRB (0.37) | — | |
| SCHEMBL18935090 | 0.70 | LPL (0.35) | — | |
| SCHEMBL25220672 | 0.70 | LPL (0.35) | — | |
| SCHEMBL3304374 | 0.70 | MAPK1 (0.32) | — | |
| SCHEMBL21823670 | 0.69 | FPR2 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2321296-A1 | SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF | Bayer Schering Pharma Aktiengesellschaft (DE) | 2011-05-18 | — | — | EP | disclosed |
| US-20100099681-A1 | SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2010-04-22 | — | — | US | disclosed |
| WO-2010020363-A1 | SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2010-02-25 | — | — | WO | disclosed |