⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL100280 | 1.00 | — | — | |
| SCHEMBL27911770 | 1.00 | — | — | |
| SCHEMBL6947392 | 1.00 | — | — | |
| SCHEMBL12122123 | 0.76 | — | — | |
| SCHEMBL12524741 | 0.76 | — | — | |
| SCHEMBL6949650 | 0.73 | — | — | |
| SCHEMBL6949645 | 0.73 | — | — | |
| SCHEMBL6947393 | 0.71 | — | — | |
| SCHEMBL107995 | 0.69 | TSHR (0.38) | — | |
| SCHEMBL231687 | 0.69 | — | — |
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-8153655-B2 | Compositions useful as inhibitors of voltage-gated sodium channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-04-10 | — | — | US | disclosed |
| US-20100087479-A1 | Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-04-08 | — | — | US | disclosed |