⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2006089 | 0.82 | — | — | |
| SCHEMBL7490287 | 0.78 | NISCH (0.35) | — | |
| SCHEMBL20308 | 0.71 | — | — | |
| SCHEMBL8121570 | 0.70 | GAA (0.32) | — | |
| SCHEMBL442201 | 0.65 | CHRNB2 (0.31) | — | |
| SCHEMBL9732217 | 0.65 | GAA (0.32) | — | |
| SCHEMBL1966927 | 0.64 | CHRNB2 (0.41) | — | |
| SCHEMBL2150570 | 0.64 | — | — | |
| SCHEMBL3787733 | 0.62 | — | — | |
| SCHEMBL29787065 | 0.61 | GAA (0.32) | — |
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-0921124-A1 | Benzothiophene derivatives useful in therapy | Pfizer Limited (GB) | 1999-06-09 | — | — | EP | disclosed |