⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1916171 | 0.77 | TSHR (0.33) | — | |
| SCHEMBL5014848 | 0.74 | ARG1 (0.46) | — | |
| SCHEMBL1915859 | 0.72 | ARG1 (0.37) | — | |
| SCHEMBL14764492 | 0.70 | ARG1 (0.33) | — | |
| SCHEMBL1916739 | 0.68 | ARG1 (0.34) | — | |
| SCHEMBL15918883 | 0.68 | GRM2 (0.38) | — | |
| SCHEMBL16728201 | 0.67 | ARG1 (0.31) | — | |
| SCHEMBL2419413 | 0.67 | SLC1A3 (0.31) | — | |
| SCHEMBL7431375 | 0.64 | — | — | |
| SCHEMBL8714547 | 0.63 | CYP2D6 (0.41) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1091945-A1 | CYCLIC CARBAMATES AND ISOXAZOLIDINES AS IIB/IIIA ANTAGONISTS | Du Pont Pharmaceuticals Company (US) | 2001-04-18 | — | — | EP | disclosed |
| WO-2000000481-A1 | CYCLIC CARBAMATES AND ISOXAZOLIDINES AS IIB/IIIA ANTAGONISTS | DU PONT PHARMACEUTICALS COMPANY (US) | 2000-01-06 | — | — | WO | disclosed |