⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5862103 | 0.68 | — | — | |
| SCHEMBL3566 | 0.68 | — | — | |
| SCHEMBL5042962 | 0.65 | — | — | |
| SCHEMBL28997891 | 0.64 | — | — | |
| SCHEMBL751581 | 0.63 | HDAC8 (0.33) | — | |
| SCHEMBL37815 | 0.62 | KDM4E (0.54) | — | |
| SCHEMBL354087 | 0.60 | — | — | |
| SCHEMBL467198 | 0.60 | KDM4E (0.35) | — | |
| SCHEMBL1766590 | 0.59 | — | — | |
| SCHEMBL4466845 | 0.59 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0828737-A1 | ISOXAZOLINE AND ISOXAZOLE DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-03-18 | — | — | EP | disclosed |
| US-5710159-A | IMIDAZOLIN-2-YLAMINOPROPOXY)ISOXAZOL-5-CARBONYLAMINO-2 -BENZYLOXYCARBONYLAMINOPROPIONIC ACID AS ANTIINFLAMMATORY AGENTS, BONE DEGRADATION, TUMORS, METASTASES AND THROMBOSIS | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-01-20 | — | — | US | disclosed |
| WO-1996037492-A1 | ISOXAZOLINE AND ISOXAZOLE DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-11-28 | — | — | WO | disclosed |