⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28195475 | 0.78 | HAVCR2 (0.41) | — | |
| SCHEMBL7476062 | 0.76 | — | — | |
| SCHEMBL8087591 | 0.73 | LOXL2 (0.39) | — | |
| SCHEMBL8086262 | 0.73 | ALDH1A1 (0.38) | — | |
| SCHEMBL4597863 | 0.72 | UPP1 (0.34) | — | |
| SCHEMBL1694465 | 0.69 | KDM4E (0.62) | — | |
| SCHEMBL9820043 | 0.69 | HAVCR2 (1.00) | — | |
| SCHEMBL14154933 | 0.66 | ALDH1A1 (0.43) | — | |
| SCHEMBL6466233 | 0.65 | — | — | |
| SCHEMBL7820058 | 0.64 | 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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104080783-A | Pyrrole compounds | YAKULT HONSHA KK | 2014-10-01 | — | — | CN | disclosed |
| EP-1911755-B1 | BENZOIMIDAZOLE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHETASE | TAIHO PHARMACEUTICAL CO LTD (JP) | 2011-09-14 | — | — | EP | disclosed |
| US-7951956-B2 | Benzoimidazole compound capable of inhibiting prostaglandin D synthetase | TAIHO PHARMACEUTICALS CO., LTD. (JP) | 2011-05-31 | — | — | US | disclosed |
| US-20090281098-A1 | BENZOIMIDAZOLE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHETASE | TAIHO PHARMACEUTICAL CO., LTD. (JP) | 2009-11-12 | — | — | US | disclosed |
| CN-100425239-C | Therapeutic applications of 2-substituted 4-heteroarylpyrimidines | CYCLACEL LTD (GB) | 2008-10-15 | — | — | CN | disclosed |
| EP-1911755-A1 | BENZOIMIDAZOLE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHETASE | TAIHO PHARMACEUTICAL CO., LTD. (JP) | 2008-04-16 | — | — | EP | disclosed |
| EP-1572211-B1 | THERAPEUTIC APPLICATIONS OF 2-SUBSTITUTED 4-HETEROARYLPYRIMIDINES | CYCLACEL LTD (GB) | 2008-02-20 | — | — | EP | disclosed |
| US-7262202-B2 | Inhibitors of cyclin dependent kinases as anti-cancer agent | CYCLACEL LIMITED (GB) | 2007-08-28 | — | — | US | disclosed |
| US-20070185134-A1 | Inhibitors of cyclin dependent kinases as anti-cancer agent | CYCLACEL LIMITED (GB) | 2007-08-09 | — | — | US | disclosed |
| EP-1373253-B1 | INHIBITORS OF CYCLIN DEPENDENT KINASES AS ANTI-CANCER AGENT | CYCLACEL LTD (GB) | 2007-06-20 | — | — | EP | disclosed |
| CN-1720049-A | Therapeutic applications of 2-substituted 4-heteroarylpyrimidines | CYCLACEL LTD (GB) | 2006-01-11 | — | — | CN | disclosed |
| US-20050282843-A1 | Therapeutic applications of 2-substituted 4-heteroarylpyrimidines | CYCLACEL LIMITED (GB) | 2005-12-22 | — | — | US | disclosed |
| EP-1572211-A1 | THERAPEUTIC APPLICATIONS OF 2-SUBSTITUTED 4-HETEROARYLPYRIMIDINES | Cyclacel Limited (GB) | 2005-09-14 | — | — | EP | disclosed |
| US-20050101657-A1 | Pyrrole derivatives for preventing or treating cancer sensitive to hormones; administered with luteininzing hormone releasing hormone derivative | TAKEDA CHEMICAL INDUSTRIES LTD. (JP) | 2005-05-12 | — | — | US | disclosed |
| EP-1466902-A1 | ANDROGEN RECEPTOR ANTAGONISTS | Takeda Chemical Industries, Ltd. (JP) | 2004-10-13 | — | — | EP | disclosed |
| US-20040132746-A1 | Inhibitors of cyclin dependent kinases as anti-cancer agent | CYCLACEL LIMITED (GB) | 2004-07-08 | — | — | US | disclosed |
| WO-2004056368-A1 | THERAPEUTIC APPLICATIONS OF 2-SUBSTITUTED 4-HETEROARYLRYRIMIDINES | CYCLACEL LIMITED (GB) | 2004-07-08 | — | — | WO | disclosed |
| CN-1503794-A | Inhiitors of cyclin dependent kinases as anti-cancer agent | — | 2004-06-09 | — | — | CN | disclosed |
| EP-1373253-A1 | INHIBITORS OF CYCLIN DEPENDENT KINASES AS ANTI-CANCER AGENT | Cyclacel Limited (GB) | 2004-01-02 | — | — | EP | disclosed |
| WO-2002079193-A1 | INHIBITORS OF CYCLIN DEPENDENT KINASES AS ANTI-CANCER AGENT | CYCLACEL LIMITED (GB) | 2002-10-10 | — | — | WO | disclosed |