⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7404941 | 0.90 | — | — | |
| SCHEMBL6232293 | 0.86 | — | — | |
| SCHEMBL7406254 | 0.86 | — | — | |
| SCHEMBL6235140 | 0.84 | — | — | |
| SCHEMBL7402489 | 0.80 | — | — | |
| SCHEMBL7400174 | 0.79 | — | — | |
| SCHEMBL1710324 | 0.74 | — | — | |
| SCHEMBL8679383 | 0.72 | — | — | |
| SCHEMBL1516329 | 0.70 | — | — | |
| SCHEMBL354847 | 0.67 | GRIN2D (0.38) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8809365-B2 | 1-substituted 2-azabicyclo [3.1.1] heptyl derivatives useful as nicotinic acetylcholine receptor modulators for treating neurologic disorders | UNIVERSITEIT GENT (BE) | 2014-08-19 | — | — | US | disclosed |
| US-20120245196-A1 | 1-SUBSTITUTED 2-AZABICYCLO [3.1.1] HEPTYL DERIVATIVES USEFUL AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS FOR TREATING NEUROLOGIC DISORDERS | UNIVERSITEIT GENT (BE) | 2012-09-27 | — | — | US | disclosed |
| WO-2005005432-A1 | NOVEL 2,7-DIOXO-BICYCLO[4.3.0]NON-5-YL-UREA DERIVATIVES | SYNGENTA PARTICIPATIONS AG (CH) | 2005-01-20 | — | — | WO | disclosed |