⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15733195 | 0.83 | — | — | |
| SCHEMBL3626679 | 0.71 | — | — | |
| SCHEMBL11792343 | 0.71 | — | — | |
| SCHEMBL31588943 | 0.70 | CYP3A4 (0.33) | — | |
| SCHEMBL5048472 | 0.69 | — | — | |
| SCHEMBL2395520 | 0.67 | — | — | |
| SCHEMBL7649545 | 0.67 | — | — | |
| SCHEMBL22288164 | 0.67 | — | — | |
| SCHEMBL31229282 | 0.67 | — | — | |
| SCHEMBL13862441 | 0.67 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112490382-B | Organic light-emitting device and display device | 昆山工研院新型平板显示技术中心有限公司 | 2022-09-13 | — | — | CN | disclosed |
| CN-114539296-A | Boron-containing organic compound and application thereof | 北京鼎材科技有限公司 | 2022-05-27 | — | — | CN | disclosed |
| CN-112490382-A | Organic electroluminescent device and display device | 昆山工研院新型平板显示技术中心有限公司 | 2021-03-12 | — | — | CN | disclosed |
| US-20110098301-A1 | Pyrimidine Derivatives for Treatment of Hyperproliferative Disorders | BAYER HEALTHCARE LLC (US) | 2011-04-28 | — | — | US | disclosed |
| US-20100075967-A1 | PYRIMIDINE DERIVATIVES FOR TREATMENT OF HYPERPROLIFERATIVE DISORDERS | BAYER PHARMACEUTICALS CORPORATION (US) | 2010-03-25 | — | — | US | disclosed |
| 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 |
| US-20050277640-A1 | Pyrimidine derivatives for treatment of hyperproliferative disorders | BAYER PHARMACEUTICALS CORPORATION (US) | 2005-12-15 | — | — | US | disclosed |