⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3744298 | 0.93 | — | — | |
| SCHEMBL946347 | 0.86 | SIGMAR1 (0.39) | — | |
| SCHEMBL946976 | 0.85 | SIGMAR1 (0.47) | — | |
| SCHEMBL945485 | 0.80 | — | — | |
| SCHEMBL7511380 | 0.79 | — | — | |
| SCHEMBL1219807 | 0.76 | — | — | |
| SCHEMBL1220462 | 0.76 | — | — | |
| SCHEMBL4857180 | 0.74 | NOS1 (0.48) | — | |
| SCHEMBL295542 | 0.73 | NOS1 (0.50) | — | |
| SCHEMBL3975826 | 0.73 | NOS1 (0.31) | — |
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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1994003185-A1 | DISUBSTITUTED AND DEOXY DISUBSTITUTED DERIVATIVES OF α-D-MANNOFURANOSIDES AND β-L-GULOFURANOSIDES HAVING ANTI-INFLAMMATORY AND ANTI-PROLIFERATIVE ACTIVITY | MEDICARB INC. (US) | 1994-02-17 | — | — | WO | claimed |
| US-7989446-B2 | 4-amino 5-cyanopyrimidine derivatives | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2011-08-02 | — | — | US | disclosed |
| US-20110009620-A1 | 4-Amino-5-cyanopyrimidine derivatives | OTSUKA PHARMACEUTICAL CO., LTD. | 2011-01-13 | — | — | US | disclosed |
| US-7834002-B2 | 4-amino-5-cyanopyrimidine derivatives | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2010-11-16 | — | — | US | disclosed |
| EP-1591443-B1 | PYRAZOLE DERIVATIVE | DAIICHI SANKYO CO LTD (JP) | 2010-08-25 | — | — | EP | disclosed |
| US-7622471-B2 | Pyrazole derivatives having a pyridazine and pyridine functionality | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2009-11-24 | — | — | US | disclosed |
| US-20080182854-A1 | 4-Amino-5-Cyanopyrimidine Derivatives | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2008-07-31 | — | — | US | disclosed |
| US-20080125409-A1 | 1,5-Diheterocycle-1H-Triazole Derivative | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2008-05-29 | — | — | US | disclosed |
| US-20080064682-A1 | Pyrazole Derivatives | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2008-03-13 | — | — | US | disclosed |
| US-20070254881-A1 | Pyrazole Derivative | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2007-11-01 | — | — | US | disclosed |
| EP-1785418-A1 | PYRAZOLE DERIVATIVE | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2007-05-16 | — | — | EP | disclosed |
| EP-1762568-A1 | PYRAZOLE DERIVATIVES | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2007-03-14 | — | — | EP | disclosed |
| EP-1740574-A2 | 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES | Otsuka Pharmaceutical Company, Limited (JP) | 2007-01-10 | — | — | EP | disclosed |
| US-20060189591-A1 | Five-membered heterocyclic derivative | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2006-08-24 | — | — | US | disclosed |
| US-20060128685-A1 | Pyrazole derivative | DAIICHI PHARMACEUTICAL CO., LTD., (JP) | 2006-06-15 | — | — | US | disclosed |
| EP-1621537-A1 | FIVE-MEMBERED HETEROCYCLIC DERIVATIVE | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2006-02-01 | — | — | EP | disclosed |
| WO-2005105778-A2 | 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2005-11-10 | — | — | WO | disclosed |
| EP-1591443-A1 | PYRAZOLE DERIVATIVE | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2005-11-02 | — | — | EP | disclosed |
| US-5360794-A | Disubstituted and deoxy disubstituted derivatives of α-D-mannofuranosides and β-L-gulofuranosides having anti-inflammatory and anti-proliferative activity | MEDICARB INC. (US) | 1994-11-01 | — | — | US | disclosed |
| WO-1994003185-A1 | DISUBSTITUTED AND DEOXY DISUBSTITUTED DERIVATIVES OF α-D-MANNOFURANOSIDES AND β-L-GULOFURANOSIDES HAVING ANTI-INFLAMMATORY AND ANTI-PROLIFERATIVE ACTIVITY | MEDICARB INC. (US) | 1994-02-17 | — | — | WO | disclosed |