⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1693036 | 1.00 | — | — | |
| SCHEMBL963002 | 0.90 | — | — | |
| SCHEMBL2334924 | 0.85 | CYP2D6 (0.40) | — | |
| SCHEMBL4121883 | 0.85 | CYP2D6 (0.40) | — | |
| SCHEMBL16936697 | 0.85 | — | — | |
| SCHEMBL1693085 | 0.82 | APLNR (0.34) | — | |
| SCHEMBL1749269 | 0.82 | — | — | |
| SCHEMBL1693053 | 0.81 | CYP1A2 (0.31) | — | |
| SCHEMBL1583472 | 0.80 | ALDH1A1 (0.30) | — | |
| SCHEMBL154523 | 0.80 | ALDH1A1 (0.30) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2477963-A1 | ARYL SULPHONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS | Zalicus Pharmaceuticals Ltd. (CA) | 2012-07-25 | — | — | EP | disclosed |
| EP-2078016-B1 | HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH | SIGNAL PHARM LLC (US) | 2012-02-01 | — | — | EP | disclosed |
| US-20110245245-A1 | METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HETEROARYL COMPOUNDS | SIGNAL PHARMACEUTICALS, LLC | 2011-10-06 | — | — | US | disclosed |
| US-7981893-B2 | Heteroaryl compounds, compositions thereof, and methods of treatment therewith | SIGNAL PHARMACEUTICALS, LLC (US) | 2011-07-19 | — | — | US | disclosed |
| WO-2011035159-A1 | ARYL SULPHONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS | ZALICUS PHARMACEUTICALS LTD. (CA) | 2011-03-24 | — | — | WO | disclosed |