⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1222234 | 0.79 | SLC6A2 (0.39) | — | |
| SCHEMBL3823430 | 0.78 | HSPB1 (0.31) | — | |
| SCHEMBL1642806 | 0.76 | ALDH1A1 (0.50) | — | |
| SCHEMBL2188181 | 0.74 | HSD17B10 (0.43) | — | |
| SCHEMBL15525255 | 0.73 | KCNH2 (0.46) | — | |
| SCHEMBL17456350 | 0.73 | CYP3A4 (0.38) | — | |
| SCHEMBL609237 | 0.69 | LTA4H (0.44) | — | |
| SCHEMBL23069186 | 0.68 | CYP19A1 (0.35) | — | |
| SCHEMBL726609 | 0.67 | LTA4H (0.38) | — | |
| SCHEMBL453234 | 0.67 | SOS1 (0.47) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7678804-B2 | Pyrimidine derivatives for treatment of hyperproliferative disorders | BAYER HEALTHCARE LLC (US) | 2010-03-16 | — | — | US | disclosed |
| EP-1858882-A1 | PYRIMIDINE DERIVATIVES FOR TREATMENT OF HYPERPROLIFERATIVE DISORDERS | Bayer Pharmaceuticals Corporation (US) | 2007-11-28 | — | — | EP | disclosed |
| WO-2006099231-A1 | PYRIMIDINE DERIVATIVES FOR TREATMENT OF HYPERPROLIFERATIVE DISORDERS | BAYER PHARMACEUTICALS CORPORATION (US) | 2006-09-21 | — | — | WO | disclosed |
| EP-1689722-A2 | 4-AMINOPYRIMIDINE DERIVATIVES FOR TREATMENT OF HYPERPROLIFERATIVE DISORDERS | Bayer Pharmaceuticals Corporation (US) | 2006-08-16 | — | — | EP | disclosed |
| US-20050277640-A1 | Pyrimidine derivatives for treatment of hyperproliferative disorders | BAYER PHARMACEUTICALS CORPORATION (US) | 2005-12-15 | — | — | US | disclosed |
| WO-2005035507-A2 | 4-AMINOPYRIMIDINE DERIVATIVES FOR TREATMENT OF HYPERPROLIFERATIVE DISORDERS | BAYER PHARMACEUTICALS CORPORATION (US) | 2005-04-21 | — | — | WO | disclosed |