⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5878660 | 0.67 | — | — | |
| SCHEMBL19013092 | 0.58 | — | — | |
| SCHEMBL14438142 | 0.58 | — | — | |
| SCHEMBL99 | 0.52 | — | — | |
| SCHEMBL10614835 | 0.52 | — | — | |
| SCHEMBL17006679 | 0.48 | — | — | |
| Methylsulfanylmethane SCHEMBL9772132 | 0.47 | — | — | |
| SCHEMBL8899218 | 0.47 | — | — | |
| Ammonia Solution, Strong SCHEMBL22747857 | 0.47 | — | — | |
| SCHEMBL31538690 | 0.47 | — | — |
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-2271650-B1 | Quinuclidine compounds as alpha-7 nicotinic acetylcholine receptor ligands | BRISTOL MYERS SQUIBB CO (US) | 2015-09-16 | — | — | EP | claimed |