⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20578549 | 0.74 | KCNH2 (0.40) | — | |
| SCHEMBL4497205 | 0.74 | — | — | |
| SCHEMBL2010866 | 0.74 | — | — | |
| SCHEMBL31504928 | 0.72 | HAO1 (0.49) | — | |
| Hydrochloric Acid SCHEMBL2450441 | 0.72 | — | — | |
| SCHEMBL28096086 | 0.72 | — | — | |
| SCHEMBL20409158 | 0.70 | — | — | |
| SCHEMBL8309544 | 0.69 | — | — | |
| Methyl Alcohol SCHEMBL28240651 | 0.69 | — | — | |
| SCHEMBL527210 | 0.67 | APP (0.52) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011161201-A1 | BISARYLSULFONAMIDES USEFUL AS KINASE INHIBITORS IN THE TREATMENT OF INFLAMMATION AND CANCER | KANCERA AB (SE) | 2011-12-29 | — | — | WO | disclosed |