⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7495702 | 0.80 | — | — | |
| SCHEMBL2186124 | 0.79 | CYP19A1 (0.42) | — | |
| SCHEMBL27342488 | 0.78 | — | — | |
| SCHEMBL4878486 | 0.78 | — | — | |
| SCHEMBL17115770 | 0.78 | — | — | |
| SCHEMBL28436679 | 0.77 | CYP19A1 (0.41) | — | |
| Bromide SCHEMBL27677505 | 0.77 | CYP17A1 (0.42) | — | |
| Hydrochloric Acid SCHEMBL27734133 | 0.77 | CYP17A1 (0.42) | — | |
| Water SCHEMBL28041772 | 0.77 | CYP17A1 (0.42) | — | |
| Iodide SCHEMBL27642360 | 0.77 | CYP17A1 (0.42) | — |
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-20160101104-A1 | QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS | BRISTOL MYERS SQUIBB CO (US) | 2016-04-14 | — | — | US | disclosed |
| US-20150322089-A1 | QUINUCLIDINE, 1-AZABICYCLO[2.2.1]HEPTANE, 1-AZABICYCLO [3.2.1]OCTANE, and 1-AZABICYCLO[3.2.2]NONANE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-11-12 | — | — | US | disclosed |
| US-20120035178-A1 | Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands | BRISTOL-MYERS SQUIBB COMPANY | 2012-02-09 | — | — | US | disclosed |