⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21331525 | 0.91 | CES2 (0.38) | — | |
| SCHEMBL21331546 | 0.87 | CES2 (0.39) | — | |
| SCHEMBL25239237 | 0.87 | CES2 (0.39) | — | |
| SCHEMBL25208334 | 0.87 | CES2 (0.39) | — | |
| SCHEMBL77327 | 0.84 | — | — | |
| SCHEMBL4952330 | 0.81 | CES2 (0.32) | — | |
| SCHEMBL22940138 | 0.80 | ALDH1A1 (0.30) | — | |
| SCHEMBL85679 | 0.80 | — | — | |
| SCHEMBL4740546 | 0.80 | ALDH1A1 (0.30) | — | |
| SCHEMBL25148114 | 0.78 | MEN1 (0.35) | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8129373-B2 | Carbonyl compounds | MERCK PATENT GMBH (DE) | 2012-03-06 | — | — | US | disclosed |
| 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-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-20100256131-A1 | CARBONYL COMPOUNDS | TSAKLAKIDIS CHRISTOS | 2010-10-07 | — | — | US | disclosed |
| EP-1720844-B1 | PYRROLIDINO-1,2-DICARBOXY-1-(PHENYLAMIDE)-2-(4-(3-OXO-MORPHOLINO-4-YL)-PHENYLAMIDE) DERIVATIVES AND RELATED COMPOUNDS FOR USE AS INHIBITORS OF COAGULATION FACTOR XA IN THE TREATMENT OF THROMBO-EMBOLIC DISEASES | MERCK PATENT GMBH (DE) | 2009-04-29 | — | — | 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-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 |
| US-20080003214-A1 | Medicaments Comprising Carbonyl Compounds, And The Use Thereof | MERCK PATENT GMBH (DE) | 2008-01-03 | — | — | US | disclosed |
| US-20070265259-A1 | Proline Derivatives | MERCK PATENT GMBH (DE) | 2007-11-15 | — | — | US | disclosed |
| US-20070265259-A1 | Proline Derivatives | MERCK PATENT GMBH (DE) | 2007-11-15 | — | — | US | disclosed |
| WO-2006034769-A1 | CARBONYL COMPOUNDS USABLE AS COAGULATION FACTOR XA INHIBITORS | MERCK PATENT GMBH (DE) | 2006-04-06 | — | — | WO | disclosed |
| WO-2006032342-A2 | CARBONYL COMPOUND-CONTAINING DRUG AND THE USE THEREOF | MERCK PATENT GMBH (DE) | 2006-03-30 | — | — | WO | disclosed |