⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL952545 | 0.78 | — | — | |
| SCHEMBL10049422 | 0.78 | — | — | |
| SCHEMBL11965827 | 0.78 | — | — | |
| SCHEMBL13866900 | 0.62 | — | — | |
| SCHEMBL19058631 | 0.61 | — | — | |
| SCHEMBL8231904 | 0.57 | — | — | |
| SCHEMBL17243657 | 0.57 | — | — | |
| SCHEMBL10328026 | 0.57 | — | — | |
| SCHEMBL13367442 | 0.57 | — | — | |
| SCHEMBL19773677 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| US-10022355-B2 | Diaryl and arylheteroaryl urea derivatives as modulators of the 5-HT2A serotonin receptor useful for the prophylaxis and treatment of REM sleep behavior disorder | AXOVANT SCIENCES GMBH (CH) | 2018-07-17 | — | — | US | disclosed |