⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1082769 | 0.69 | — | — | |
| SCHEMBL2279939 | 0.56 | — | — | |
| SCHEMBL2279912 | 0.54 | — | — | |
| SCHEMBL15881085 | 0.54 | — | — | |
| SCHEMBL1357553 | 0.54 | — | — | |
| SCHEMBL2036980 | 0.53 | — | — | |
| SCHEMBL12948673 | 0.51 | — | — | |
| SCHEMBL8869174 | 0.49 | — | — | |
| SCHEMBL16660165 | 0.46 | — | — | |
| SCHEMBL3477835 | 0.46 | — | — |
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 33 patents — showing the first 20. 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 |
| 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-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-20160075653-A1 | NEMATICIDAL N-(PHENYLCYCLOALKYL)CARBOXAMIDES AND N-(PHENYLCYCLOALKYL)THIOCARBOXAMIDES | BAYER ANIMAL HEALTH GMBH (DE) | 2016-03-17 | — | — | US | disclosed |
| WO-2010025871-A1 | 4-HALOGEN ALKYL-SUBSTITUTED DIAMINOPYRIMIDINES FOR USE AS FUNGICIDES | 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-2009115267-A2 | DIAMINOPYRIMIDINES AS PLANT PROTECTION AGENTS | BAYER CROPSCIENCE AG (DE) | 2009-09-24 | — | — | WO | disclosed |