⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10367451 | 1.00 | — | — | |
| SCHEMBL5167073 | 0.85 | FDPS (0.37) | — | |
| SCHEMBL5165099 | 0.78 | FDPS (0.39) | — | |
| SCHEMBL7678057 | 0.74 | CYP1A2 (0.33) | — | |
| SCHEMBL3127247 | 0.74 | — | — | |
| SCHEMBL7675687 | 0.74 | MMP1 (0.34) | — | |
| SCHEMBL298413 | 0.71 | — | — | |
| SCHEMBL4277170 | 0.71 | — | — | |
| SCHEMBL18191200 | 0.69 | FDPS (0.33) | — | |
| SCHEMBL5690215 | 0.69 | FDPS (0.33) | — |
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 96 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2054411-B1 | NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | AMOREPACIFIC CORP (KR) | 2014-08-20 | — | — | EP | claimed |
| US-8530650-B2 | 2, 5-diamino-substituted pyrido [4, 3-D] pyrimidines as autotaxin inhibitors against cancer | MERCK PATENT GMBH (DE) | 2013-09-10 | — | — | US | claimed |
| EP-2352732-B1 | 2,5-DIAMINO-SUBSTITUTED PYRIDO[4, 3-d]PYRIMIDINES AS AUTOTAXIN INHIBITORS AGAINST CANCER | MERCK PATENT GMBH (DE) | 2013-02-20 | — | — | EP | claimed |
| CN-102216299-A | 2, 5-diamino-substituted pyrido [4, 3-d] pyrimidines as autotaxin inhibitors against cancer | MERCK PATENT GMBH | 2011-10-12 | — | — | CN | claimed |
| US-20110237583-A1 | 2, 5-DIAMINO-SUBSTITUTED PYRIDO [4, 3-D] PYRIMIDINES AS AUTOTAXIN INHIBITORS AGAINST CANCER | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG | 2011-09-29 | — | — | US | claimed |
| EP-2352732-A1 | 2, 5-DIAMINO-SUBSTITUTED PYRIDO Ý4, 3-D¨PYRIMIDINES AS AUTOTAXIN INHIBITORS AGAINST CANCER | Merck Patent GmbH (DE) | 2011-08-10 | — | — | EP | claimed |
| WO-2010063352-A1 | 2, 5-DIAMINO-SUBSTITUTED PYRIDO [4, 3-D] PYRIMIDINES AS AUTOTAXIN INHIBITORS AGAINST CANCER | MERCK PATENT GMBH (DE) | 2010-06-10 | — | — | WO | claimed |
| US-20070225291-A1 | Substituted Pyrazinone Compounds for the Treatment of Inflammation | PFIZER INC. | 2007-09-27 | — | — | US | claimed |
| US-7244729-B2 | 4-amino-6-phenyl-pyrrolo[2,3-d]pyrimidine derivatives | NOVARTIS AG (CH) | 2007-07-17 | — | — | US | claimed |
| EP-1678164-B1 | SUBSTITUTED PYRAZINONE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | PHARMACIA CORP (US) | 2007-04-11 | — | — | EP | claimed |
| WO-2005037797-A1 | SUBSTITUTED PYRAZOLE UREA COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | PHARMACIA CORPORATION (US) | 2005-04-28 | — | — | WO | claimed |
| WO-2005035527-A1 | SUBSTITUTED PYRAZINONE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | PHARMACIA CORPORATION (US) | 2005-04-21 | — | — | WO | claimed |
| US-20030212101-A1 | Quinoline-4-carboxamide derivatives as NK-3 and NK-2 receptor antagonists | SMITHKLINE BEECHAM S.P.A. (IT) | 2003-11-13 | — | — | US | claimed |
| US-6380197-B1 | FOR TREATING AND PREVENTING A PLETHORA OF DISEASES INCLUDING DIABETES | AVENTIS PHARMA S. A. (FR) | 2002-04-30 | — | — | US | claimed |
| EP-1131295-A1 | QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS | Smithkline Beecham S.p.A. (IT) | 2001-09-12 | — | — | EP | claimed |
| WO-2000031037-A1 | QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM S.P.A. (IT) | 2000-06-02 | — | — | WO | claimed |
| EP-1001943-A1 | POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM | Aventis Pharma S.A. (FR) | 2000-05-24 | — | — | EP | claimed |
| WO-1999003843-A1 | POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM | RHONE-POULENC RORER S.A. (FR) | 1999-01-28 | — | — | WO | claimed |
| US-5476846-A | Administering anti-thrombotic and anti-asthmatic agent | LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) | 1995-12-19 | — | — | US | claimed |
| US-5387709-A | Bronchodilator agents, anticoagulants, vasodilation | LIPHA LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) | 1995-02-07 | — | — | US | claimed |