⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14616103 | 1.00 | — | — | |
| SCHEMBL6361146 | 1.00 | — | — | |
| Water SCHEMBL28322825 | 0.96 | — | — | |
| Hydrogen Sulfide SCHEMBL28878902 | 0.96 | — | — | |
| SCHEMBL28180501 | 0.79 | SOAT1 (0.33) | — | |
| SCHEMBL726626 | 0.74 | — | — | |
| SCHEMBL9062739 | 0.74 | — | — | |
| SCHEMBL1537305 | 0.74 | — | — | |
| SCHEMBL9479965 | 0.74 | — | — | |
| SCHEMBL9478830 | 0.74 | — | — |
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-2316829-A1 | Heterocyclic derivatives as modulators of ion channels | Vertex Pharmaceuticals Incorporated (US) | 2011-05-04 | — | — | EP | disclosed |