⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL337514 | 0.97 | — | — | |
| Ammonia Solution, Strong SCHEMBL28507249 | 0.95 | — | — | |
| SCHEMBL27765412 | 0.81 | TSHR (0.46) | — | |
| SCHEMBL7623221 | 0.81 | — | — | |
| SCHEMBL27767942 | 0.78 | — | — | |
| SCHEMBL777609 | 0.76 | — | — | |
| SCHEMBL11322641 | 0.75 | ALDH1A1 (0.52) | — | |
| SCHEMBL9891071 | 0.75 | TSHR (0.31) | — | |
| SCHEMBL28056079 | 0.75 | CYP3A4 (0.47) | — | |
| SCHEMBL14053493 | 0.75 | ACHE (0.34) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6114328-A | ANTICOAGULANTS; BLOOD DISORDERS | DUPONT PHARMACEUTICALS COMPANY (US) | 2000-09-05 | — | — | US | disclosed |
| EP-0970950-A2 | Novel isoxazoline and isoxazole fibrinogen receptor antagonists | DuPont Pharmaceuticals Company (US) | 2000-01-12 | — | — | EP | disclosed |
| CN-1202893-A | Novel isoxazoline and isoxazole fibrinogen receptor antagonists | DU PONT MERCK PHARMA (US) | 1998-12-23 | — | — | CN | disclosed |
| US-5849736-A | Isoxazoline and isoxazole fibrinogen receptor antagonists | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-12-15 | — | — | US | disclosed |
| EP-0832076-A1 | NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-04-01 | — | — | EP | disclosed |
| WO-1996038426-A1 | NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-12-05 | — | — | WO | disclosed |
| EP-0730590-A1 | NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-09-11 | — | — | EP | disclosed |
| WO-1995014683-A1 | NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-06-01 | — | — | WO | disclosed |