⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2777442 | 0.71 | KDM4E (0.31) | — | |
| SCHEMBL1766403 | 0.69 | — | — | |
| SCHEMBL4578155 | 0.67 | ALDH1A1 (0.39) | — | |
| SCHEMBL6340848 | 0.67 | — | — | |
| SCHEMBL8446249 | 0.65 | LMNA (0.32) | — | |
| SCHEMBL477908 | 0.64 | — | — | |
| SCHEMBL10125 | 0.64 | — | — | |
| SCHEMBL477867 | 0.64 | — | — | |
| SCHEMBL5176615 | 0.63 | — | — | |
| SCHEMBL2460678 | 0.63 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10233191-B2 | Fused piperidine amides as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2019-03-19 | — | — | US | disclosed |
| US-20160159815-A1 | Fused Piperidine Amides as Modulators of Ion Channels | VERTEX PHARMACEUTICALS INCORPORATED | 2016-06-09 | — | — | US | disclosed |