⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8505472 | 0.72 | ITGB3 (0.46) | — | |
| SCHEMBL7438736 | 0.71 | ITGB3 (0.53) | — | |
| SCHEMBL7371138 | 0.68 | ITGB3 (0.46) | — | |
| SCHEMBL8128142 | 0.67 | ITGB3 (0.30) | — | |
| SCHEMBL8114641 | 0.65 | ITGB3 (0.32) | — | |
| SCHEMBL7367239 | 0.64 | ITGB3 (0.39) | — | |
| SCHEMBL7378740 | 0.63 | ITGB3 (0.38) | — | |
| SCHEMBL7372714 | 0.63 | KCNH2 (0.37) | — | |
| SCHEMBL7375252 | 0.63 | ITGB3 (0.45) | — | |
| SCHEMBL7452928 | 0.62 | ITGB3 (0.33) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0730589-A1 | ISOXAZOLINE COMPOUNDS USEFUL AS FIBRINOGEN RECEPTOR ANTAGONISTS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-09-11 | — | — | EP | claimed |