⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25930200 | 0.81 | — | — | |
| SCHEMBL25707927 | 0.72 | — | — | |
| SCHEMBL1753720 | 0.69 | CYP3A4 (0.42) | — | |
| SCHEMBL25684339 | 0.67 | DRD4 (0.31) | — | |
| SCHEMBL25684768 | 0.67 | DRD4 (0.31) | — | |
| SCHEMBL254577 | 0.67 | — | — | |
| SCHEMBL4547459 | 0.67 | — | — | |
| SCHEMBL1753694 | 0.67 | USP2 (0.39) | — | |
| SCHEMBL1753491 | 0.67 | USP2 (0.44) | — | |
| SCHEMBL23132002 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230242535-A1 | IMIDAZOTHIADIAZOLE AND IMIDAZOPYRAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION | BRISTOL MYERS SQUIBB CO (US) | 2023-08-03 | — | — | US | disclosed |