⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1771063 | 0.67 | — | — | |
| SCHEMBL3615 | 0.67 | — | — | |
| SCHEMBL75921 | 0.63 | — | — | |
| SCHEMBL2952138 | 0.56 | — | — | |
| SCHEMBL6171830 | 0.56 | — | — | |
| SCHEMBL14392 | 0.55 | — | — | |
| SCHEMBL2760572 | 0.53 | — | — | |
| SCHEMBL76315 | 0.51 | — | — | |
| SCHEMBL1782490 | 0.50 | HIF1A (0.42) | — | |
| SCHEMBL1640 | 0.50 | — | — |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1679073-A1 | 2-(PHENYL)-2H-PYRAZOLE-3-CARBOXYLIC ACID-N-4-(IMINO-HETEROCYCLYL)-PHENYL-AMIDE DERIVATIVES AND RELATES COMPOUNDS FOR USE AS INHIBITORS OF THE COAGULATION FACTORS XA AND/OR VIIA FOR TREATING THROMBOSES | MERCK PATENT GmbH (DE) | 2006-07-12 | — | — | EP | claimed |
| US-20050272740-A1 | Benzimidazole derivatives | MERCK PATENT GMBH (DE) | 2005-12-08 | — | — | US | claimed |
| US-20050203127-A1 | 2-(Phenyl)-2h-pyrazole-3-carboxylic acid-n-4-(thioxo-heterocyclyl)-phenyl-amide derivatives and corresponding imino-heterocyclyl derivatives and relates compounds for use as inhibitors of the coagulation factors xa and/or viia for treating thromboses | MERCK PATENT GMBH (DE) | 2005-09-15 | — | — | US | claimed |
| US-8129373-B2 | Carbonyl compounds | MERCK PATENT GMBH (DE) | 2012-03-06 | — | — | US | disclosed |
| US-7906516-B2 | Carbonyl compounds | MERCK PATENT GMBH (DE) | 2011-03-15 | — | — | US | disclosed |
| US-20100256131-A1 | CARBONYL COMPOUNDS | TSAKLAKIDIS CHRISTOS | 2010-10-07 | — | — | US | disclosed |
| US-7579346-B2 | (R)-2-[(5-chlorothiophene-2-carbonyl)amino]-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]4-methylvaleramide, for example; inhibitors of coagulation factor Xa and can be employed for the prophylaxis and/or therapy of thromboembolic diseases and for the treatment of tumors | MERCK PATENT GMBH (DE) | 2009-08-25 | — | — | US | disclosed |
| US-7566789-B2 | Benzimidazole derivatives | MERCK PATENT GMBH (DE) | 2009-07-28 | — | — | US | disclosed |
| EP-1562939-B1 | CARBOXAMIDES | MERCK PATENT GMBH (DE) | 2009-01-21 | — | — | EP | disclosed |
| US-20080081814-A1 | Carbonyl Compounds Which Can be Used as Inhibitors of Coagulation Factor Xa | CEZANNE BERTRAM | 2008-04-03 | — | — | US | disclosed |
| US-20080003214-A1 | Medicaments Comprising Carbonyl Compounds, And The Use Thereof | MERCK PATENT GMBH (DE) | 2008-01-03 | — | — | US | disclosed |
| EP-1490056-B1 | N-'4-(2-IMINO-PYRROLIDIN-1-YL)PHENYL)-ACETAMIDE AND CORRESPONDING PIPERIDINE DERIVATIVES AS FACTOR XA INHIBITORS FOR THE TREATMENT OF THROMBO-EMBOLIC DISEASES | MERCK PATENT GMBH (DE) | 2006-08-30 | — | — | EP | disclosed |
| US-20060183739-A1 | Carbonyl compounds | MERCK PATENT GMBH (DE) | 2006-08-17 | — | — | US | disclosed |
| EP-1679073-A1 | 2-(PHENYL)-2H-PYRAZOLE-3-CARBOXYLIC ACID-N-4-(IMINO-HETEROCYCLYL)-PHENYL-AMIDE DERIVATIVES AND RELATES COMPOUNDS FOR USE AS INHIBITORS OF THE COAGULATION FACTORS XA AND/OR VIIA FOR TREATING THROMBOSES | MERCK PATENT GmbH (DE) | 2006-07-12 | — | — | EP | disclosed |
| US-20060052376-A1 | Carboxamides | MERCK PATENT GMBH (DE) | 2006-03-09 | — | — | US | disclosed |
| US-20050272740-A1 | Benzimidazole derivatives | MERCK PATENT GMBH (DE) | 2005-12-08 | — | — | US | disclosed |
| US-20050203127-A1 | 2-(Phenyl)-2h-pyrazole-3-carboxylic acid-n-4-(thioxo-heterocyclyl)-phenyl-amide derivatives and corresponding imino-heterocyclyl derivatives and relates compounds for use as inhibitors of the coagulation factors xa and/or viia for treating thromboses | MERCK PATENT GMBH (DE) | 2005-09-15 | — | — | US | disclosed |
| US-20050176760-A1 | N-'4-(2-imino-pyrrolidin-1-yl)phenyl!-acetamide and corresponding piperidine derivatives as factor xa inhibitors for the treatment of thrombo-embolic diseases | MERCK PATENT GMBH (DE) | 2005-08-11 | — | — | US | disclosed |