⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27550751 | 0.81 | — | — | |
| SCHEMBL6762286 | 0.81 | — | — | |
| SCHEMBL3834885 | 0.81 | — | — | |
| SCHEMBL6633769 | 0.78 | DPP4 (0.36) | — | |
| SCHEMBL6637898 | 0.78 | DPP4 (0.31) | — | |
| SCHEMBL27551318 | 0.76 | F2 (0.31) | — | |
| SCHEMBL6635629 | 0.76 | IDO1 (0.37) | — | |
| SCHEMBL4986360 | 0.76 | DPP4 (0.30) | — | |
| SCHEMBL4958723 | 0.76 | DPP4 (0.30) | — | |
| SCHEMBL27611923 | 0.76 | DPP4 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1603562-A4 | SULFONYL-AMIDINO CONTAINING AND TETRAHYDROPYRIMIDINO CONTAINING COMPOUNDS AS FACTOR XA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2008-10-22 | — | — | EP | claimed |
| EP-1603909-A4 | LINEAR CHAIN SUBSTITUTED MONOCYCLIC AND BICYCLIC DERIVATIVES AS FACTOR XA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2008-09-03 | — | — | EP | claimed |
| EP-1505966-A4 | 1,1-DISUBSTITUTED CYCLOALKYL DERIVATIVES AS FACTOR XA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2006-08-30 | — | — | EP | claimed |
| EP-1603909-A2 | LINEAR CHAIN SUBSTITUTED MONOCYCLIC AND BICYCLIC DERIVATIVES AS FACTOR XA INHIBITORS | Brystol-Myers Squibb Company (US) | 2005-12-14 | — | — | EP | claimed |
| EP-1603562-A2 | SULFONYL-AMIDINO CONTAINING AND TETRAHYDROPYRIMIDINO CONTAINING COMPOUNDS AS FACTOR XA INHIBITORS | Bristol-Myers Squibb Company (US) | 2005-12-14 | — | — | EP | claimed |
| EP-1505966-A1 | 1,1-DISUBSTITUTED CYCLOALKYL DERIVATIVES AS FACTOR XA INHIBITORS | Bristol-Myers Squibb Company (US) | 2005-02-16 | — | — | EP | claimed |
| WO-2004083177-A2 | LINEAR CHAIN SUBSTITUTED MONOCYCLIC AND BICYCLIC DERIVATIVES AS FACTOR XA INHIBITORS | BRYSTOL-MYERS SQUIBB COMPANY (US) | 2004-09-30 | — | — | WO | claimed |
| WO-2004083174-A2 | SULFONYL-AMIDINO CONTAINING AND TETRAHYDROPYRIMIDINO CONTAINING COMPOUNDS AS FACTOR XA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-09-30 | — | — | WO | claimed |
| WO-2003099276-A1 | 1,1-DISUBSTITUTED CYCLOALKYL DERIVATIVES AS FACTOR XA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-12-04 | — | — | WO | claimed |
| EP-1505966-A4 | 1,1-DISUBSTITUTED CYCLOALKYL DERIVATIVES AS FACTOR XA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2006-08-30 | — | — | EP | disclosed |
| EP-1505966-A1 | 1,1-DISUBSTITUTED CYCLOALKYL DERIVATIVES AS FACTOR XA INHIBITORS | Bristol-Myers Squibb Company (US) | 2005-02-16 | — | — | EP | disclosed |
| WO-2003099276-A1 | 1,1-DISUBSTITUTED CYCLOALKYL DERIVATIVES AS FACTOR XA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-12-04 | — | — | WO | disclosed |
| EP-0609058-B1 | Hexahydronaphthalene ester derivatives, their preparation and their therapeutic uses | SANKYO CO (JP) | 1998-12-09 | — | — | EP | disclosed |
| US-5491167-A | INHIBITORS OF CHOLESTEROL BIOSYNTHESIS | SANKYO COMPANY, LIMITED (JP) | 1996-02-13 | — | — | US | disclosed |
| EP-0609058-A2 | Hexahydronaphthalene ester derivatives, their preparation and their therapeutic uses | SANKYO COMPANY LIMITED (JP) | 1994-08-03 | — | — | EP | disclosed |