⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1898922 | 0.77 | — | — | |
| SCHEMBL11227302 | 0.67 | MAOA (0.33) | — | |
| SCHEMBL10034876 | 0.63 | ABCB1 (0.37) | — | |
| SCHEMBL4094697 | 0.62 | CHRNB4 (0.45) | — | |
| SCHEMBL14311966 | 0.61 | MAOA (0.41) | — | |
| SCHEMBL6458666 | 0.60 | ITGB2 (0.41) | — | |
| SCHEMBL5010227 | 0.60 | — | — | |
| SCHEMBL438270 | 0.60 | POLB (0.33) | — | |
| SCHEMBL442812 | 0.60 | — | — | |
| SCHEMBL1038844 | 0.60 | — | — |
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-2027104-B1 | ARYLSULFONYLCHROMANS AS 5-HT6 INHIBITORS | HOFFMANN LA ROCHE (CH) | 2011-02-23 | — | — | EP | disclosed |