⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10085694 | 0.78 | — | — | |
| SCHEMBL10111829 | 0.77 | — | — | |
| SCHEMBL30899554 | 0.60 | — | — | |
| SCHEMBL30899565 | 0.60 | — | — | |
| SCHEMBL14083176 | 0.60 | — | — | |
| SCHEMBL728797 | 0.59 | — | — | |
| SCHEMBL8258119 | 0.59 | — | — | |
| SCHEMBL4591609 | 0.59 | ALDH1A1 (0.33) | — | |
| SCHEMBL12196225 | 0.59 | — | — | |
| SCHEMBL19658189 | 0.57 | THRA (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-2284171-B1 | Amides of diazabicycloalkanes selective for nicotinic acetylcholine receptor sub-types | TARGACEPT INC (US) | 2012-02-15 | — | — | EP | disclosed |