⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL684767 | 1.00 | — | — | |
| SCHEMBL25236940 | 0.96 | — | — | |
| SCHEMBL19062980 | 0.93 | — | — | |
| SCHEMBL20844603 | 0.93 | — | — | |
| SCHEMBL91626 | 0.69 | — | — | |
| SCHEMBL366648 | 0.69 | — | — | |
| SCHEMBL427297 | 0.69 | — | — | |
| SCHEMBL20362659 | 0.67 | — | — | |
| SCHEMBL16134872 | 0.67 | — | — | |
| SCHEMBL15382586 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021237038-A1 | COMPETITIVE AND NONCOMPETITIVE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 | VANDERBILT UNIVERSITY (US) | 2021-11-25 | — | — | WO | disclosed |