⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3619674 | 0.84 | — | — | |
| SCHEMBL3729102 | 0.78 | — | — | |
| SCHEMBL2398241 | 0.77 | SCN4A (0.39) | — | |
| SCHEMBL5271999 | 0.76 | — | — | |
| SCHEMBL2406399 | 0.74 | — | — | |
| SCHEMBL4831678 | 0.74 | — | — | |
| SCHEMBL8194241 | 0.74 | — | — | |
| SCHEMBL619635 | 0.73 | — | — | |
| SCHEMBL7698086 | 0.72 | — | — | |
| SCHEMBL3248587 | 0.72 | — | — |
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-7157454-B2 | Derivatives of n-(arylsulfonyl)beta-aminoacids comprising a substituted aminomethyl group, the preparation method thereof and the pharmaceutical compositions containing same | SANOFI-AVENTIS (FR) | 2007-01-02 | — | — | US | disclosed |
| US-20040116353-A1 | Derivatives of n-(arylsulfonyl)beta-aminoacids comprising a substituted aminomethyl group, the preparation method thereof and the pharmaceutical compositions containing same | SANOFI (FR) | 2004-06-17 | — | — | US | disclosed |