⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4072954 | 1.00 | — | — | |
| SCHEMBL4071515 | 1.00 | — | — | |
| SCHEMBL2035085 | 0.86 | — | — | |
| SCHEMBL17103558 | 0.75 | ALDH1A1 (0.34) | — | |
| SCHEMBL8923742 | 0.75 | CYP2D6 (0.32) | — | |
| SCHEMBL10925218 | 0.74 | SMN1; SMN2 (0.44) | — | |
| SCHEMBL8924736 | 0.74 | TSHR (0.39) | — | |
| SCHEMBL9491529 | 0.73 | — | — | |
| SCHEMBL596402 | 0.73 | — | — | |
| SCHEMBL8922806 | 0.70 | — | — |
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-1824817-B1 | ARYLSULFONYLNAPHTHALENE DERIVATIVES AS 5HT2A ANTAGONISTS | MERCK SHARP & DOHME (GB) | 2009-02-04 | — | — | EP | disclosed |