⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13369544 | 0.76 | CYP1A2 (0.35) | — | |
| SCHEMBL8044610 | 0.71 | — | — | |
| SCHEMBL15109619 | 0.71 | — | — | |
| SCHEMBL16404876 | 0.71 | — | — | |
| SCHEMBL30798549 | 0.70 | — | — | |
| SCHEMBL29732964 | 0.70 | — | — | |
| SCHEMBL17188850 | 0.70 | — | — | |
| SCHEMBL13446932 | 0.70 | — | — | |
| SCHEMBL15108949 | 0.69 | CYP2D6 (0.31) | — | |
| SCHEMBL6261221 | 0.67 | — | — |
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-3309146-A1 | SULFONAMIDE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALT THEREOF | University of Tsukuba (JP) | 2018-04-18 | — | — | EP | disclosed |