⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19248925 | 0.97 | ADH1A (0.42) | — | |
| SCHEMBL14362737 | 0.97 | — | — | |
| SCHEMBL25818428 | 0.88 | — | — | |
| SCHEMBL25921656 | 0.78 | — | — | |
| SCHEMBL14997486 | 0.74 | HTR2A (0.40) | — | |
| SCHEMBL27393842 | 0.72 | — | — | |
| SCHEMBL1674942 | 0.71 | ADH1A (0.39) | — | |
| SCHEMBL5497272 | 0.71 | ADH1A (0.39) | — | |
| SCHEMBL22519802 | 0.69 | — | — | |
| SCHEMBL12036975 | 0.67 | ADH1A (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1373233-B1 | DERIVATIVES OF N-(ARYLSULFONYL)BETA-AMINOACIDS COMPRISING A SUBSTITUTED AMINOMETHYL GROUP, THE PREPARATION METHOD THEREOF AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | SANOFI AVENTIS (FR) | 2007-09-05 | — | — | EP | disclosed |