⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27083455 | 1.00 | — | — | |
| SCHEMBL4382129 | 0.82 | — | — | |
| SCHEMBL27083465 | 0.77 | CPB1 (0.31) | — | |
| SCHEMBL17103546 | 0.75 | TSHR (0.31) | — | |
| SCHEMBL596319 | 0.73 | — | — | |
| SCHEMBL947 | 0.64 | — | — | |
| SCHEMBL387892 | 0.64 | — | — | |
| SCHEMBL3062521 | 0.64 | — | — | |
| SCHEMBL788891 | 0.64 | — | — | |
| SCHEMBL153285 | 0.64 | — | — |
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 |