⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13409244 | 0.93 | SCN2B (0.32) | — | |
| SCHEMBL13409262 | 0.91 | KCNH2 (0.35) | — | |
| SCHEMBL13409525 | 0.88 | — | — | |
| SCHEMBL14107697 | 0.84 | — | — | |
| SCHEMBL13409153 | 0.81 | SCN2B (0.30) | — | |
| SCHEMBL3301313 | 0.81 | KEAP1 (0.39) | — | |
| SCHEMBL13409294 | 0.80 | KCNH2 (0.32) | — | |
| SCHEMBL13409666 | 0.77 | DGAT1 (0.32) | — | |
| SCHEMBL4566014 | 0.77 | KEAP1 (0.35) | — | |
| SCHEMBL13409671 | 0.76 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100093703-A1 | SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-04-15 | — | — | US | disclosed |