⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3843115 | 0.61 | — | — | |
| SCHEMBL654468 | 0.55 | — | — | |
| SCHEMBL89523 | 0.53 | — | — | |
| SCHEMBL5318896 | 0.51 | — | — | |
| SCHEMBL20184144 | 0.51 | PDE3B (0.39) | — | |
| SCHEMBL15918978 | 0.51 | — | — | |
| SCHEMBL3790759 | 0.51 | — | — | |
| SCHEMBL20719703 | 0.50 | — | — | |
| SCHEMBL3624714 | 0.48 | ALDH1A1 (0.50) | — | |
| P-Xyloquinone SCHEMBL49964 | 0.48 | PLK1 (0.60) | — |
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 55 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140329816-A1 | CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF | CHDI FOUNDATION, INC. | 2014-11-06 | — | — | US | claimed |
| EP-2736337-A1 | CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF | CHDI Foundation, Inc. (US) | 2014-06-04 | — | — | EP | claimed |
| US-20130029988-A1 | CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF | EVOTEC (UK) LTD. (GB) | 2013-01-31 | — | — | US | claimed |
| WO-2013016488-A1 | CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF | DOMINGUEZ CELIA (US) | 2013-01-31 | — | — | WO | claimed |
| EP-2528441-A1 | CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF | CHDI Foundation, Inc. (US) | 2012-12-05 | — | — | EP | claimed |
| EP-1893634-B1 | PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2011-12-21 | — | — | EP | claimed |
| US-8048881-B2 | Uding 4-aminocarbonyl-pyrimidine; vascular disorders; cardiovascular disorders; thrombosis; brain disorders; vision defects | ACTELION PHARMACEUTICALS LTD. (CH) | 2011-11-01 | — | — | US | claimed |
| US-20110230478-A1 | 4-Alkyl-substituted diaminopyrimidines | Bayer ScienceCrop AG (DE) | 2011-09-22 | — | — | US | claimed |
| WO-2011091153-A1 | CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF | CHDI, INC. (US) | 2011-07-28 | — | — | WO | claimed |
| EP-2330904-A2 | 4-ALKYL-SUBSTITUTED DIAMINOPYRIMIDINES | Bayer CropScience AG (DE) | 2011-06-15 | — | — | EP | claimed |
| US-20110105472-A1 | Diaminopyrimidines as crop protection agents | BAYER CROPSCIENCE AG (DE) | 2011-05-05 | — | — | US | claimed |
| EP-2268144-A2 | DIAMINOPYRIMIDINES AS PLANT PROTECTION AGENTS | Bayer CropScience AG (DE) | 2011-01-05 | — | — | EP | claimed |
| WO-2010025871-A1 | 4-HALOGEN ALKYL-SUBSTITUTED DIAMINOPYRIMIDINES FOR USE AS FUNGICIDES | BAYER CROPSCIENCE AG (DE) | 2010-03-11 | — | — | WO | claimed |
| WO-2010025863-A2 | 4-ALKYL-SUBSTITUTED DIAMINOPYRIMIDINES | BAYER CROPSCIENCE AG (DE) | 2010-03-11 | — | — | WO | claimed |
| EP-2161259-A1 | 4-Haloalkyl substituted Diaminopyrimidine | Bayer CropScience AG (DE) | 2010-03-10 | — | — | EP | claimed |
| WO-2009115267-A2 | DIAMINOPYRIMIDINES AS PLANT PROTECTION AGENTS | BAYER CROPSCIENCE AG (DE) | 2009-09-24 | — | — | WO | claimed |
| US-20080194576-A1 | Pyrimidine Derivatives and Their Use as P2Y12 Receptor Antagonists | ACTELION PHARMACEUTICALS LTD. (CH) | 2008-08-14 | — | — | US | claimed |
| EP-1893634-A2 | PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS | Actelion Pharmaceuticals Ltd. (CH) | 2008-03-05 | — | — | EP | claimed |
| WO-2006114774-A2 | PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2006-11-02 | — | — | WO | claimed |
| US-9649310-B2 | Certain kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof | CHDI FOUNDATION, INC. (US) | 2017-05-16 | — | — | US | disclosed |
| US-20160361312-A1 | CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF | EVOTEC (UK) LTD. (GB) | 2016-12-15 | — | — | US | disclosed |
| US-9260422-B2 | Certain kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof | CHDI FOUNDATION, INC. (US) | 2016-02-16 | — | — | US | disclosed |
| US-8883785-B2 | Certain kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof | CHDI FOUNDATION, INC. (US) | 2014-11-11 | — | — | US | disclosed |
| US-20140329816-A1 | CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF | CHDI FOUNDATION, INC. | 2014-11-06 | — | — | US | disclosed |
| EP-2736337-A1 | CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF | CHDI Foundation, Inc. (US) | 2014-06-04 | — | — | EP | disclosed |
| US-20130289013-A1 | IMIDAZO[1,2-a]PYRIDINE COMPOUNDS | SUNOVION PHARMACEUTICALS INC. | 2013-10-31 | — | — | US | disclosed |
| US-8497278-B2 | Imidazo[1,2-a]pyridine compounds | SUNOVION PHARMACEUTICALS INC. (US) | 2013-07-30 | — | — | US | disclosed |
| US-20130029988-A1 | CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF | EVOTEC (UK) LTD. (GB) | 2013-01-31 | — | — | US | disclosed |
| WO-2013016488-A1 | CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF | DOMINGUEZ CELIA (US) | 2013-01-31 | — | — | WO | disclosed |
| EP-2528441-A1 | CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF | CHDI Foundation, Inc. (US) | 2012-12-05 | — | — | EP | disclosed |
| EP-1893634-B1 | PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2011-12-21 | — | — | EP | disclosed |
| US-8048881-B2 | Uding 4-aminocarbonyl-pyrimidine; vascular disorders; cardiovascular disorders; thrombosis; brain disorders; vision defects | ACTELION PHARMACEUTICALS LTD. (CH) | 2011-11-01 | — | — | US | disclosed |
| US-20110230478-A1 | 4-Alkyl-substituted diaminopyrimidines | Bayer ScienceCrop AG (DE) | 2011-09-22 | — | — | US | disclosed |
| WO-2011091153-A1 | CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF | CHDI, INC. (US) | 2011-07-28 | — | — | WO | disclosed |
| US-20110166146-A1 | IMIDAZO[1,2-a]PYRIDINE COMPOUNDS | SUNOVION PHARMACEUTICALS INC. (US) | 2011-07-07 | — | — | US | disclosed |
| EP-2330904-A2 | 4-ALKYL-SUBSTITUTED DIAMINOPYRIMIDINES | Bayer CropScience AG (DE) | 2011-06-15 | — | — | EP | disclosed |
| US-20110105472-A1 | Diaminopyrimidines as crop protection agents | BAYER CROPSCIENCE AG (DE) | 2011-05-05 | — | — | US | disclosed |
| EP-2300470-A2 | IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AS GABA-A RECEPTOR MODULATORS | Sepracor Inc. (US) | 2011-03-30 | — | — | EP | disclosed |
| EP-2268144-A2 | DIAMINOPYRIMIDINES AS PLANT PROTECTION AGENTS | Bayer CropScience AG (DE) | 2011-01-05 | — | — | EP | disclosed |
| WO-2010025871-A1 | 4-HALOGEN ALKYL-SUBSTITUTED DIAMINOPYRIMIDINES FOR USE AS FUNGICIDES | BAYER CROPSCIENCE AG (DE) | 2010-03-11 | — | — | WO | disclosed |
| WO-2010025863-A2 | 4-ALKYL-SUBSTITUTED DIAMINOPYRIMIDINES | BAYER CROPSCIENCE AG (DE) | 2010-03-11 | — | — | WO | disclosed |
| EP-2161259-A1 | 4-Haloalkyl substituted Diaminopyrimidine | Bayer CropScience AG (DE) | 2010-03-10 | — | — | EP | disclosed |
| WO-2009143156-A2 | IMIDAZO[1,2-a]PYRIDINE COMPOUNDS | SEPRACOR INC. (US) | 2009-11-26 | — | — | WO | disclosed |
| WO-2009115267-A2 | DIAMINOPYRIMIDINES AS PLANT PROTECTION AGENTS | BAYER CROPSCIENCE AG (DE) | 2009-09-24 | — | — | WO | disclosed |
| US-20080194576-A1 | Pyrimidine Derivatives and Their Use as P2Y12 Receptor Antagonists | ACTELION PHARMACEUTICALS LTD. (CH) | 2008-08-14 | — | — | US | disclosed |
| EP-1924562-A2 | PYRAZOLONE DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2008-05-28 | — | — | EP | disclosed |
| EP-1893634-A2 | PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS | Actelion Pharmaceuticals Ltd. (CH) | 2008-03-05 | — | — | EP | disclosed |
| EP-1833800-A1 | PYRAZOLONE COMPOUNDS AS METABOTROPIC GLUTAMATE RECEPTOR AGONISTS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS | AstraZeneca AB (SE) | 2007-09-19 | — | — | EP | disclosed |
| WO-2007025880-A2 | PYRAZOLONE DERIVATIVES AS 11-BETA HSD1 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2007-03-08 | — | — | WO | disclosed |
| WO-2006114774-A2 | PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2006-11-02 | — | — | WO | disclosed |
| WO-2006071730-A1 | PYRAZOLONE COMPOUNDS AS METABOTROPIC GLUTAMATE RECEPTOR AGONISTS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS | ASTRAZENECA AB (SE) | 2006-07-06 | — | — | WO | disclosed |
| EP-1641465-A2 | COMBINATIONS OF AN ARYL ANILINE BETA-2 ADRENERGIC RECEPTOR AGONIST AND A CORTICOSTEROID | Theravance, Inc. (US) | 2006-04-05 | — | — | EP | disclosed |
| WO-2005025555-A2 | COMBINATIONS OF AN ARYL ANILINE BETA-2 ADRENERGIC RECEPTOR AGONIST AND A CORTICOSTEROID | THERAVANCE, INC. (US) | 2005-03-24 | — | — | WO | disclosed |
| EP-1446379-A1 | ARYL ANILINE BETA-2 ADRENERGIC RECEPTOR AGONISTS | Theravance, Inc. (US) | 2004-08-18 | — | — | EP | disclosed |
| WO-2003042164-A1 | ARYL ANILINE BETA-2 ADRENERGIC RECEPTOR AGONISTS | THERAVANCE, INC (US) | 2003-05-22 | — | — | WO | disclosed |
| WO-2003042164-A1 | ARYL ANILINE BETA-2 ADRENERGIC RECEPTOR AGONISTS | THERAVANCE, INC (US) | 2003-05-22 | — | — | WO | disclosed |