⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29348178 | 0.68 | — | — | |
| Benzene SCHEMBL28519396 | 0.54 | — | — | |
| SCHEMBL8973287 | 0.54 | — | — | |
| SCHEMBL331123 | 0.52 | CYP2A6 (0.39) | — | |
| SCHEMBL13461879 | 0.51 | — | — | |
| SCHEMBL10177686 | 0.51 | — | — | |
| SCHEMBL63240 | 0.51 | — | — | |
| SCHEMBL16582039 | 0.51 | MAPT (0.45) | — | |
| SCHEMBL12847209 | 0.51 | — | — | |
| SCHEMBL26292 | 0.51 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-107531705-B | Bicyclic ketone sulfonamide compounds | 美国安进公司 | 2020-09-18 | — | — | CN | disclosed |