⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6817054 | 0.68 | — | — | |
| SCHEMBL5849028 | 0.67 | — | — | |
| SCHEMBL971398 | 0.63 | GRIN2D (0.33) | — | |
| SCHEMBL9584421 | 0.61 | — | — | |
| SCHEMBL16204449 | 0.60 | — | — | |
| SCHEMBL7828829 | 0.56 | — | — | |
| SCHEMBL5154283 | 0.56 | — | — | |
| SCHEMBL5154379 | 0.55 | GRIN2D (0.33) | — | |
| SCHEMBL9454337 | 0.55 | — | — | |
| SCHEMBL23053916 | 0.54 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004009599-A1 | FIVE-MEMBERED HETEROAROMATIC OLEFINIC AZACYCLIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS INHIBITORS OF NCOTINIC CHOLINERGIC RECEPTORS | TARGACEPT, INC. (US) | 2004-01-29 | — | — | WO | disclosed |
| US-20020160998-A1 | Pharmaceutical compositions and methods for use | TARGACEPT, INC. | 2002-10-31 | — | — | US | disclosed |