⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL486467 | 0.72 | — | — | |
| Water SCHEMBL7594635 | 0.70 | — | — | |
| Iodide SCHEMBL3791317 | 0.70 | — | — | |
| SCHEMBL24248456 | 0.70 | — | — | |
| SCHEMBL22369886 | 0.70 | CHRNB2 (0.32) | — | |
| SCHEMBL2616842 | 0.68 | — | — | |
| SCHEMBL1560557 | 0.68 | — | — | |
| SCHEMBL19195182 | 0.68 | — | — | |
| SCHEMBL22198973 | 0.68 | — | — | |
| SCHEMBL21475777 | 0.68 | — | — |
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-0828737-A1 | ISOXAZOLINE AND ISOXAZOLE DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-03-18 | — | — | EP | disclosed |