⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18266384 | 0.86 | — | — | |
| SCHEMBL14625650 | 0.71 | — | — | |
| SCHEMBL4556107 | 0.69 | — | — | |
| SCHEMBL19912628 | 0.67 | — | — | |
| SCHEMBL18582206 | 0.67 | — | — | |
| SCHEMBL16919247 | 0.64 | — | — | |
| SCHEMBL23967907 | 0.63 | — | — | |
| SCHEMBL20005031 | 0.59 | — | — | |
| SCHEMBL12087541 | 0.58 | — | — | |
| SCHEMBL13862750 | 0.55 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012053186-A1 | ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS | RAQUALIA PHARMA INC. (JP) | 2012-04-26 | — | — | WO | disclosed |