⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2778023 | 0.77 | ADRA2A (0.38) | — | |
| SCHEMBL19612832 | 0.77 | — | — | |
| SCHEMBL961726 | 0.69 | ADRA2A (0.44) | — | |
| SCHEMBL11740603 | 0.69 | — | — | |
| SCHEMBL961378 | 0.67 | ADRA2A (0.47) | — | |
| Hydrogen Sulfide SCHEMBL721911 | 0.66 | ADRA2A (0.46) | — | |
| SCHEMBL2782843 | 0.66 | ADRA2A (0.37) | — | |
| SCHEMBL9322130 | 0.65 | NOS3 (0.44) | — | |
| SCHEMBL11743173 | 0.64 | ADRA2A (0.38) | — | |
| SCHEMBL4638256 | 0.63 | ALDH1A1 (0.33) | — |
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-3030233-B1 | OXAZOLE OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2019-10-09 | — | — | EP | disclosed |