⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17417626 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL17417727 | 0.93 | — | — | |
| SCHEMBL18975001 | 0.87 | — | — | |
| SCHEMBL18975513 | 0.86 | — | — | |
| SCHEMBL18975052 | 0.85 | — | — | |
| SCHEMBL18974976 | 0.84 | KCNH2 (0.67) | — | |
| SCHEMBL18975464 | 0.81 | KCNH2 (0.55) | — | |
| SCHEMBL592240 | 0.81 | — | — | |
| SCHEMBL18975146 | 0.81 | — | — | |
| SCHEMBL17417800 | 0.81 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20170166561-A1 | QUINUCLIDINE COMPOUNDS FOR MODULATING ALPHA7-NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY | ALPHARMAGEN LLC (US) | 2017-06-15 | — | — | US | disclosed |