⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16361910 | 0.84 | ACACB (0.31) | — | |
| SCHEMBL17811801 | 0.78 | EPHX2 (0.32) | — | |
| SCHEMBL17811780 | 0.76 | APLNR (0.30) | — | |
| SCHEMBL20820265 | 0.74 | APLNR (0.42) | — | |
| SCHEMBL29343825 | 0.74 | — | — | |
| SCHEMBL15045831 | 0.73 | — | — | |
| SCHEMBL26989051 | 0.71 | — | — | |
| SCHEMBL17811760 | 0.70 | — | — | |
| SCHEMBL12786303 | 0.69 | GAA (0.42) | — | |
| SCHEMBL14552924 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20160159815-A1 | Fused Piperidine Amides as Modulators of Ion Channels | VERTEX PHARMACEUTICALS INCORPORATED | 2016-06-09 | — | — | US | disclosed |