⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2043925 | 0.79 | — | — | |
| SCHEMBL2085607 | 0.62 | — | — | |
| SCHEMBL2937547 | 0.61 | — | — | |
| SCHEMBL7265390 | 0.59 | — | — | |
| SCHEMBL2043928 | 0.58 | — | — | |
| SCHEMBL2039514 | 0.58 | — | — | |
| SCHEMBL21315696 | 0.56 | — | — | |
| SCHEMBL2049520 | 0.56 | — | — | |
| SCHEMBL2042953 | 0.56 | — | — | |
| SCHEMBL21363782 | 0.55 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1000031-A4 | VITRONECTIN RECEPTOR ANTAGONIST | SMITHKLINE BEECHAM CORP (US) | 2001-08-16 | — | — | EP | disclosed |
| US-6239138-B1 | TREATMENT OF INFLAMMATION, CANCER, CARDIOVASCULAR DISORDERS, SUCH AS ATHEROSCLEROSIS AND RESTENOSIS, OSTEOPOROSIS, BENZOCYCLOHEPTENYL IN WHICH A NITROGEN-CONTAINING SUBSTITUENT IS PRESENT ON THE AROMATIC SIX-MEMBERED RING AND AN ALIPHATIC | SMITHKLINE BEECHAM CORPORATION | 2001-05-29 | — | — | US | disclosed |
| EP-1000031-A1 | VITRONECTIN RECEPTOR ANTAGONIST | SmithKline Beecham Corporation (US) | 2000-05-17 | — | — | EP | disclosed |
| WO-1999005107-A1 | VITRONECTIN RECEPTOR ANTAGONIST | SMITHKLINE BEECHAM CORPORATION (US) | 1999-02-04 | — | — | WO | disclosed |
| EP-0002208-B1 | NITRO 1,4-DIHYDROPYRIDINES, MEDICAMENTS CONTAINING THEM AND THEIR MANUFACTURE | BAYER AG (DE) | 1981-03-11 | — | — | EP | disclosed |
| EP-0002208-A1 | Nitro 1,4-dihydropyridines, medicaments containing them and their manufacture | BAYER AG (DE) | 1979-06-13 | — | — | EP | disclosed |