⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3295555 | 0.92 | DGAT1 (0.32) | — | |
| SCHEMBL4430982 | 0.89 | ROCK1 (0.32) | — | |
| SCHEMBL13409470 | 0.80 | NR1H2 (0.36) | — | |
| SCHEMBL3298574 | 0.80 | CDC7 (0.33) | — | |
| SCHEMBL3301568 | 0.77 | ROCK1 (0.41) | — | |
| SCHEMBL4428336 | 0.77 | CDC7 (0.34) | — | |
| SCHEMBL3298886 | 0.76 | ROCK1 (0.31) | — | |
| SCHEMBL3298929 | 0.73 | F2 (0.35) | — | |
| SCHEMBL3295543 | 0.72 | NR1H2 (0.39) | — | |
| SCHEMBL14107585 | 0.72 | DGAT1 (0.33) | — |
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 |