⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18403942 | 0.73 | — | — | |
| SCHEMBL25165279 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL22771632 | 0.71 | SIGMAR1 (0.38) | — | |
| SCHEMBL28114626 | 0.69 | — | — | |
| SCHEMBL25034640 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL22771669 | 0.68 | TSHR (0.36) | — | |
| SCHEMBL19284820 | 0.68 | — | — | |
| SCHEMBL19284822 | 0.68 | — | — | |
| SCHEMBL19285213 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL22771727 | 0.67 | TSHR (0.37) | — |
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-3177616-B1 | NOVEL ROUTES OF SYNTHESIS FOR THE PREPARATION OF SUVOREXANT | SANDOZ AG (CH) | 2021-02-24 | — | — | EP | disclosed |