⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2238411 | 0.74 | KMO (0.44) | — | |
| SCHEMBL30362276 | 0.73 | — | — | |
| SCHEMBL37649965 | 0.73 | — | — | |
| SCHEMBL1187140 | 0.73 | — | — | |
| SCHEMBL3938053 | 0.73 | — | — | |
| SCHEMBL3632318 | 0.73 | — | — | |
| SCHEMBL109350 | 0.73 | — | — | |
| SCHEMBL1629251 | 0.73 | — | — | |
| SCHEMBL15923513 | 0.72 | KMO (0.34) | — | |
| SCHEMBL5622413 | 0.71 | KMO (0.42) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023171783-A1 | PYRAZOLE COMPOUND, AND NOXIOUS ORGANISM CONTROL AGENT CONTAINING SAME AS ACTIVE INGREDIENT | 三井化学アグロ株式会社 | 2023-09-14 | — | — | WO | disclosed |
| US-11261163-B2 | Cyanopyrimidine derivatives | MERCK PATENT GMBH (DE) | 2022-03-01 | — | — | US | disclosed |
| EP-3433236-B1 | CYANOPYRIMIDINE DERIVATIVES SUITABLE AS COMPONENTS IN LIQUID CRYSTAL MEDIA | MERCK PATENT GMBH (DE) | 2021-10-27 | — | — | EP | disclosed |
| WO-2020192042-A1 | ELECTROLUMINESCENT MATERIAL, METHOD FOR PREPARING ELECTROLUMINESCENT MATERIAL, AND LIGHT-EMITTING DEVICE | 武汉华星光电半导体显示技术有限公司 | 2020-10-01 | — | — | WO | disclosed |
| US-20200262795-A1 | CYANOPYRIMIDINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2020-08-20 | — | — | US | disclosed |
| EP-3433236-A1 | CYANOPYRIMIDINE DERIVATIVES SUITABLE AS COMPONENTS IN LIQUID CRYSTAL MEDIA | Merck Patent GmbH (DE) | 2019-01-30 | — | — | EP | disclosed |
| WO-2017162707-A1 | CYANOPYRIMIDINE DERIVATIVES SUITABLE AS COMPONENTS IN LIQUID CRYSTAL MEDIA | MERCK PATENT GMBH (DE) | 2017-09-28 | — | — | WO | disclosed |
| US-7589095-B2 | 4-phenyl-pyrimidine-2-carbonitrile derivatives | N.V. ORGANON (NL) | 2009-09-15 | — | — | US | disclosed |
| EP-1758870-B1 | 4-PHENYL-PYRIMIDINE-2-CARBONITRILE DERIVATIVES | ORGANON NV (NL) | 2008-08-13 | — | — | EP | disclosed |
| US-20080090813-A1 | 4-Phenyl-Pyrimidine-2-Carbonitrile Derivatives | Cai, Jiaqiang | 2008-04-17 | — | — | US | disclosed |
| EP-1758870-A1 | 4-PHENYL-PYRIMIDINE-2-CARBONITRILE DERIVATIVES | N.V. Organon (NL) | 2007-03-07 | — | — | EP | disclosed |
| WO-2005121106-A1 | 4-PHENYL-PYRIMIDINE-2-CARBONITRILE DERIVATIVES | N.V. ORGANON (NL) | 2005-12-22 | — | — | WO | disclosed |