⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1499166 | 0.71 | ALOX15 (0.33) | — | |
| SCHEMBL8131529 | 0.71 | NAPRT (0.41) | — | |
| SCHEMBL1499360 | 0.68 | PSIP1 (0.39) | — | |
| SCHEMBL7988077 | 0.67 | ALDH1A1 (0.32) | — | |
| SCHEMBL6280841 | 0.67 | — | — | |
| SCHEMBL1599337 | 0.67 | HTR6 (0.48) | — | |
| SCHEMBL3875830 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL745255 | 0.66 | — | — | |
| SCHEMBL2654100 | 0.66 | — | — | |
| SCHEMBL92828 | 0.63 | CA1 (0.56) | — |
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-0832076-A1 | NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-04-01 | — | — | EP | disclosed |