⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12812124 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL17417774 | 0.92 | — | — | |
| SCHEMBL12812135 | 0.91 | — | — | |
| SCHEMBL591235 | 0.87 | — | — | |
| SCHEMBL18974983 | 0.87 | CYP2C19 (0.62) | — | |
| SCHEMBL592240 | 0.85 | — | — | |
| SCHEMBL17417667 | 0.84 | — | — | |
| SCHEMBL591700 | 0.83 | CYP2C19 (0.56) | — | |
| SCHEMBL18975192 | 0.83 | CYP2C19 (0.58) | — | |
| SCHEMBL18975161 | 0.83 | KCNH2 (0.70) | — |
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-20170166561-A1 | QUINUCLIDINE COMPOUNDS FOR MODULATING ALPHA7-NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY | ALPHARMAGEN LLC (US) | 2017-06-15 | — | — | US | disclosed |
| EP-2217597-B1 | QUINUCLIDIN-4-YLMETHYL 1H-INDOLE-3-CARBOXYLATE DERIVATIVES AS ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | COMENTIS INC (US) | 2011-03-30 | — | — | EP | disclosed |
| WO-2009046025-A1 | QUINUCLIDIN-4-YLMETHYL 1H-INDOLE-3-CARBOXYLATE DERIVATIVES AS ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | COMENTIS, INC. (US) | 2009-04-09 | — | — | WO | disclosed |