⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL627003 | 0.67 | ALDH1A1 (0.31) | — | |
| SCHEMBL331377 | 0.65 | CDC25B (0.31) | — | |
| SCHEMBL493822 | 0.62 | — | — | |
| SCHEMBL289021 | 0.59 | — | — | |
| SCHEMBL5614242 | 0.58 | CYP2A6 (0.30) | — | |
| SCHEMBL4269106 | 0.57 | — | — | |
| SCHEMBL29663753 | 0.57 | — | — | |
| SCHEMBL6573461 | 0.57 | — | — | |
| SCHEMBL9816260 | 0.56 | — | — | |
| SCHEMBL784074 | 0.56 | ALDH1A1 (0.34) | — |
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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012021611-A1 | HETEROARYLS AND USES THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2012-02-16 | — | — | WO | claimed |
| US-20090036448-A1 | PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF | TAISHO PHARMECUTICAL CO., LTD. (JP) | 2009-02-05 | — | — | US | claimed |
| US-20080132496-A1 | CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2008-06-05 | — | — | US | claimed |
| US-20070037836-A1 | Melanin concentrating hormone; obesity and related disorders, anxiety, or depression; trans-4-Bromo-N-{4-[(4-dimethylamino-quinazolin-2-ylamino)-methyl]-cyclohexylmethyl}-2-trifluoromethoxy-benzenesulfonamide | TAISHO PHARMACEUTICAL CO., LTD. (JP) | 2007-02-15 | — | — | US | claimed |
| EP-1730122-A2 | PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF | TAISHO PHARMACEUTICAL CO., LTD (JP) | 2006-12-13 | — | — | EP | claimed |
| WO-2005095357-A2 | PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF | TAISHO PHARMACEUTICAL CO., LTD. (JP) | 2005-10-13 | — | — | WO | claimed |
| EP-1575925-A1 | NOVEL CARBOXAMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS | Boehringer Ingelheim International GmbH (DE) | 2005-09-21 | — | — | EP | claimed |
| US-20050197350-A1 | Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof | TAISHO PHARMACEUTICAL CO., LTD. | 2005-09-08 | — | — | US | claimed |
| US-20040220169-A1 | Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2004-11-04 | — | — | US | claimed |
| WO-2004087669-A1 | NOVEL QUINOLINE, TETRAHYDROQUINAZOLINE, AND PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF | TAISHO PHARMACEUTICAL CO. LTD. (JP) | 2004-10-14 | — | — | WO | claimed |
| EP-1464335-A2 | Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist | Taisho Pharmaceutical Co. Ltd. (JP) | 2004-10-06 | — | — | EP | claimed |
| WO-2004056784-A1 | NOVEL CARBOXAMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2004-07-08 | — | — | WO | claimed |
| EP-1432693-A2 | MCH RECEPTOR ANTAGONISTS | Taisho Pharmaceutical Co. Ltd. (JP) | 2004-06-30 | — | — | EP | claimed |
| WO-2003028641-A2 | MCH RECEPTOR ANTAGONISTS | TAISHO PHARMACEUTICAL CO., LTD. (JP) | 2003-04-10 | — | — | WO | claimed |
| US-9062038-B2 | Heteroaryls and uses thereof | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2015-06-23 | — | — | US | disclosed |
| US-20130267563-A1 | HETEROARYLS AND USES THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2013-10-10 | — | — | US | disclosed |
| WO-2012021611-A1 | HETEROARYLS AND USES THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2012-02-16 | — | — | WO | disclosed |
| EP-0625507-B1 | Urea derivatives and their use as acat inhibitors | NISSHIN FLOUR MILLING CO (JP) | 1997-07-23 | — | — | EP | disclosed |
| US-5621010-A | ANTIHYPERCHOLESTEROLEMIA AND ANTIATHEROSCLEROSIS | NISSHIN FLOUR MILLING CO., LTD. (JP) | 1997-04-15 | — | — | US | disclosed |
| EP-0625507-A2 | Urea derivatives and their use as acat inhibitors | NISSHIN FLOUR MILLING CO., LTD. (JP) | 1994-11-23 | — | — | EP | disclosed |