⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21078988 | 0.75 | — | — | |
| SCHEMBL603420 | 0.71 | — | — | |
| SCHEMBL21078813 | 0.70 | — | — | |
| SCHEMBL19525783 | 0.68 | — | — | |
| SCHEMBL21078896 | 0.65 | — | — | |
| SCHEMBL19787758 | 0.62 | — | — | |
| SCHEMBL10080282 | 0.61 | — | — | |
| SCHEMBL24439650 | 0.60 | — | — | |
| SCHEMBL247940 | 0.60 | — | — | |
| SCHEMBL316874 | 0.60 | — | — |
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-2841421-B1 | AMIDE DERIVATIVES AS TTX-S BLOCKERS | RAQUALIA PHARMA INC (JP) | 2019-06-05 | — | — | EP | disclosed |