⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3835913 | 0.78 | — | — | |
| SCHEMBL1526202 | 0.78 | — | — | |
| SCHEMBL12471307 | 0.74 | BRD4 (0.42) | — | |
| SCHEMBL3590148 | 0.74 | KMT2A (0.53) | — | |
| SCHEMBL128329 | 0.74 | MAPK1 (0.42) | — | |
| SCHEMBL189304 | 0.74 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL2880292 | 0.74 | MEN1 (0.37) | — | |
| SCHEMBL9900621 | 0.71 | ALDH1A1 (0.40) | — | |
| SCHEMBL12615436 | 0.70 | NPC1 (0.42) | — | |
| SCHEMBL14784705 | 0.70 | ALDH1A1 (0.44) | — |
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 63 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0946508-B1 | NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS | BRISTOL MYERS SQUIBB PHARMA CO (US) | 2009-09-23 | — | — | EP | claimed |
| EP-1064270-B1 | DISUBSTITUTED PYRAZOLINES AND TRIAZOLINES AS FACTOR XA INHIBITORS | BRISTOL MYERS SQUIBB PHARMA CO (US) | 2004-10-06 | — | — | EP | claimed |
| US-20040073029-A1 | Oxygen or sulfur containing heteroaromatics as factor Xa inhibitors | PRUITT JAMES RUSSELL (US) | 2004-04-15 | — | — | US | claimed |
| US-20030105105-A1 | Disubstituted pyrazolines and triazolines as factor Xa inhibitors | PINTO DONALD J P (US) | 2003-06-05 | — | — | US | claimed |
| US-6569874-B1 | Such as 2-acetylamino-4-(3-amidinophenyl)-5-((2'-amino-sulfonyl-(1,1')-biphen-4 -yl)aminocarbonyl)thiazole; for treatment of thromboembolic disorders | BRISTOL-MYERS SQUIBB COMPANY | 2003-05-27 | — | — | US | claimed |
| US-6548512-B1 | Pyrazole derivatives such as 1-(3-amidinophenyl)-3-methyl-2-((5-(2'-aminosulfonylphenyl-1-yl)pyrimidin-2 -yl)aminocarbonyl)pyrazole; treating thromboembolic disorders | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2003-04-15 | — | — | US | claimed |
| EP-0946528-B1 | OXYGEN OR SULFUR CONTAINING 5-MEMBERED HETEROAROMATICS AS FACTOR Xa INHIBITORS | BRISTOL MYERS SQUIBB PHARMA CO (US) | 2003-04-09 | — | — | EP | claimed |
| US-20010000179-A1 | Disubstituted pyrazolines and triazolines as factor Xa inhibitors | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2001-04-05 | — | — | US | claimed |
| US-6191159-B1 | ANTICOAGULANTS | DUPONT PHARMACEUTICALS COMPANY | 2001-02-20 | — | — | US | claimed |
| EP-1064270-A2 | DISUBSTITUTED PYRAZOLINES AND TRIAZOLINES AS FACTOR XA INHIBITORS | Du Pont Pharmaceuticals Company (US) | 2001-01-03 | — | — | EP | claimed |
| WO-1999050255-A2 | DISUBSTITUTED PYRAZOLINES AND TRIAZOLINES AS FACTOR XA INHIBITORS | DU PONT PHARMACEUTICALS COMPANY (US) | 1999-10-07 | — | — | WO | claimed |
| EP-0946528-A2 | OXYGEN OR SULFUR CONTAINING 5-MEMBERED HETEROAROMATICS AS FACTOR Xa INHIBITORS | Du Pont Pharmaceuticals Company (US) | 1999-10-06 | — | — | EP | claimed |
| EP-0946508-A1 | NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS | Du Pont Pharmaceuticals Company (US) | 1999-10-06 | — | — | EP | claimed |
| WO-1998028282-A2 | OXYGEN OR SULFUR CONTAINING 5-MEMBERED HETEROAROMATICS AS FACTOR Xa INHIBITORS | DU PONT PHARMACEUTICALS COMPANY (US) | 1998-07-02 | — | — | WO | claimed |
| WO-1998028269-A1 | NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS | DU PONT PHARMACEUTICALS COMPANY (US) | 1998-07-02 | — | — | WO | claimed |
| CN-107266419-B | Certain amino-pyridazines, compositions thereof, and methods of use thereof | 赛特凯恩蒂克公司 | 2021-05-11 | — | — | CN | disclosed |
| CN-112047926-A | Certain amino-pyrimidines, compositions thereof and methods of use thereof | 赛特凯恩蒂克公司 | 2020-12-08 | — | — | CN | disclosed |
| WO-1998028282-A2 | OXYGEN OR SULFUR CONTAINING 5-MEMBERED HETEROAROMATICS AS FACTOR Xa INHIBITORS | DU PONT PHARMACEUTICALS COMPANY (US) | 1998-07-02 | — | — | WO | disclosed |
| US-4873237-A | ANTIULCER AGENTS | JOHN WYETH & BROTHER LIMITED (GB) | 1989-10-10 | — | — | US | disclosed |
| EP-0154190-A1 | Pyridones | MERCK PATENT GmbH (DE) | 1985-09-11 | — | — | EP | disclosed |