⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18074291 | 0.83 | AGBL2 (0.33) | — | |
| SCHEMBL6620138 | 0.77 | — | — | |
| SCHEMBL15555715 | 0.77 | HCAR2 (0.39) | — | |
| SCHEMBL3587690 | 0.76 | SMN1; SMN2 (0.46) | — | |
| Hydrochloric Acid SCHEMBL3587687 | 0.75 | SMN1; SMN2 (0.45) | — | |
| SCHEMBL2028609 | 0.75 | — | — | |
| SCHEMBL17785640 | 0.74 | — | — | |
| Phosphoric Acid SCHEMBL2026236 | 0.74 | PGK1 (0.31) | — | |
| SCHEMBL17785870 | 0.73 | — | — | |
| SCHEMBL19687235 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3019478-A1 | FUSED PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS | Vertex Pharmaceuticals Inc. (US) | 2016-05-18 | — | — | EP | disclosed |
| WO-2015006280-A1 | FUSED PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2015-01-15 | — | — | WO | disclosed |