⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4687612 | 0.69 | — | — | |
| SCHEMBL4722019 | 0.64 | — | — | |
| SCHEMBL9948923 | 0.62 | — | — | |
| SCHEMBL7507402 | 0.62 | — | — | |
| SCHEMBL4765218 | 0.62 | — | — | |
| SCHEMBL367038 | 0.61 | — | — | |
| SCHEMBL8827676 | 0.60 | L3MBTL1 (0.39) | — | |
| SCHEMBL4687888 | 0.60 | — | — | |
| SCHEMBL4721214 | 0.60 | NOS1 (0.32) | — | |
| SCHEMBL3940874 | 0.59 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080255147-A1 | Heterocycles useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED | 2008-10-16 | — | — | US | claimed |
| EP-1904491-A2 | HETEROCYCLES USEFUL AS MODULATORS OF ION CHANNELS | Vertex Pharmaceuticals Incorporated (US) | 2008-04-02 | — | — | EP | claimed |
| WO-2006130493-A2 | HETEROCYCLES USEFUL AS MODULATORS OF ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2006-12-07 | — | — | WO | claimed |
| US-8329702-B2 | Heterocycles useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-12-11 | — | — | US | disclosed |
| US-20110059984-A1 | HETEROCYCLES USEFUL AS MODULATORS OF ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-03-10 | — | — | US | disclosed |
| US-7880008-B2 | Such as 4-(-1,2,4-thiadiazol-3-yl)piperazine-1-carboxylate and 4-(thiazol-2-yl)piperazine-1-carboxylate derivatives; antiinflammatory, anticarcinogenic, antiepileptic, antiarthritic, and analgesic agents; neurodegenerative and muscular disorders; sodium and calcium channel modulators; diabetes, headaches | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-02-01 | — | — | US | disclosed |
| US-20080255147-A1 | Heterocycles useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED | 2008-10-16 | — | — | US | disclosed |
| EP-1904491-A2 | HETEROCYCLES USEFUL AS MODULATORS OF ION CHANNELS | Vertex Pharmaceuticals Incorporated (US) | 2008-04-02 | — | — | EP | disclosed |
| WO-2006130493-A2 | HETEROCYCLES USEFUL AS MODULATORS OF ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2006-12-07 | — | — | WO | disclosed |