⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3829868 | 0.81 | TDP1 (0.33) | — | |
| SCHEMBL10773725 | 0.79 | LMNA (0.35) | — | |
| SCHEMBL28848589 | 0.79 | LMNA (0.35) | — | |
| SCHEMBL8133495 | 0.78 | — | — | |
| SCHEMBL3659431 | 0.75 | — | — | |
| SCHEMBL136235 | 0.74 | GABRA1 (0.35) | — | |
| SCHEMBL1452075 | 0.74 | KDM4E (0.32) | — | |
| SCHEMBL5872069 | 0.74 | PTPRB (0.43) | — | |
| SCHEMBL1145020 | 0.72 | TRPA1 (0.40) | — | |
| SCHEMBL28092396 | 0.72 | LMNA (0.45) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1824817-A1 | ARYLSULFONYLNAPHTHALENE DERIVATIVES AS 5HT2A ANTAGONISTS | MERCK SHARP & DOHME LTD. (GB) | 2007-08-29 | — | — | EP | disclosed |
| WO-2006059149-A1 | ARYLSULFONYLNAPHTHALENE DERIVATIVES AS 5HT2A ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 2006-06-08 | — | — | WO | disclosed |