⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5904938 | 0.80 | — | — | |
| SCHEMBL17654242 | 0.74 | — | — | |
| SCHEMBL4102375 | 0.70 | — | — | |
| SCHEMBL4096899 | 0.70 | — | — | |
| SCHEMBL4091465 | 0.70 | — | — | |
| SCHEMBL3980528 | 0.67 | — | — | |
| SCHEMBL8000974 | 0.62 | — | — | |
| SCHEMBL2828995 | 0.62 | — | — | |
| SCHEMBL10906044 | 0.62 | MAPK1 (0.31) | — | |
| SCHEMBL3857734 | 0.61 | CES1 (0.32) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7557102-B2 | Pyrazolidine-1,2-dicarboxyldiphenylamide derivatives as coagulation factor Xa inhibitors for the treatment of thromboses | MERCK PATENT GMBH (DE) | 2009-07-07 | — | — | US | disclosed |
| EP-1608645-B1 | PYRAZOLIDINE-1,2-DICARBOXYLDIPHENYLAMIDE DERIVATIVES AS COAGULATION FACTOR XA INHIBITORS FOR THE TREATMENT OF THROMBOSES | MERCK PATENT GMBH (DE) | 2007-05-02 | — | — | EP | disclosed |
| US-20060183742-A1 | Pyrazolidine-1,2-dicarboxyldiphenylamide derivatives as coagulation factor xa inhibitors for the treatment of thromboses | MERCK PATENT GMBH (DE) | 2006-08-17 | — | — | US | disclosed |
| EP-1608645-A1 | PYRAZOLIDINE-1,2-DICARBOXYLDIPHENYLAMIDE DERIVATIVES AS COAGULATION FACTOR XA INHIBITORS FOR THE TREATMENT OF THROMBOSES | MERCK PATENT GmbH (DE) | 2005-12-28 | — | — | EP | disclosed |
| WO-2004087696-A1 | PYRAZOLIDINE-1,2-DICARBOXYLDIPHENYLAMIDE DERIVATIVES AS COAGULATION FACTOR XA INHIBITORS FOR THE TREATMENT OF THROMBOSES | MERCK PATENT GMBH (DE) | 2004-10-14 | — | — | WO | disclosed |