⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1571074 | 0.68 | MEN1 (0.32) | — | |
| SCHEMBL3221160 | 0.68 | — | — | |
| SCHEMBL3708618 | 0.67 | — | — | |
| SCHEMBL11040106 | 0.67 | MEN1 (0.31) | — | |
| SCHEMBL2907727 | 0.66 | — | — | |
| SCHEMBL4648648 | 0.66 | MEN1 (0.31) | — | |
| SCHEMBL2578537 | 0.64 | LMNA (0.36) | — | |
| SCHEMBL18131930 | 0.60 | — | — | |
| Pivalate SCHEMBL101921 | 0.57 | — | — | |
| Pivalate SCHEMBL30495288 | 0.57 | CA1 (0.43) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8343763-B2 | Heterocyclic derivatives as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-01-01 | — | — | US | disclosed |
| US-20120149742-A1 | HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-06-14 | — | — | US | disclosed |
| US-8143297-B2 | Heterocyclic derivatives as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-03-27 | — | — | US | disclosed |
| US-20110098328-A1 | HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-04-28 | — | — | US | disclosed |
| EP-2307412-A2 | HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS | Vertex Pharmaceuticals Incorporated (US) | 2011-04-13 | — | — | EP | disclosed |
| US-7846954-B2 | Heterocyclic derivatives as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-12-07 | — | — | US | disclosed |
| US-20100004300-A1 | HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-01-07 | — | — | US | disclosed |
| WO-2010002956-A2 | HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-01-07 | — | — | WO | disclosed |