⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16297465 | 0.68 | — | — | |
| SCHEMBL8324404 | 0.67 | — | — | |
| SCHEMBL22010274 | 0.65 | ALDH1A1 (0.30) | — | |
| SCHEMBL13149748 | 0.65 | MAOA (0.34) | — | |
| SCHEMBL14433791 | 0.64 | — | — | |
| SCHEMBL21527522 | 0.63 | MEN1 (0.32) | — | |
| SCHEMBL24216222 | 0.63 | — | — | |
| SCHEMBL910892 | 0.58 | — | — | |
| SCHEMBL20628908 | 0.57 | — | — | |
| SCHEMBL11467294 | 0.57 | — | — |
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-2316829-A1 | Heterocyclic derivatives as modulators of ion channels | Vertex Pharmaceuticals Incorporated (US) | 2011-05-04 | — | — | EP | disclosed |
| WO-2009039328-A1 | PYRIDYL SULFONAMIDES AS MODULATORS OF ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-03-26 | — | — | WO | disclosed |