⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL764648 | 0.76 | — | — | |
| SCHEMBL15685478 | 0.76 | — | — | |
| SCHEMBL8251007 | 0.76 | — | — | |
| SCHEMBL14603828 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL30675251 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL30691926 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL755039 | 0.74 | — | — | |
| SCHEMBL6903204 | 0.74 | — | — | |
| SCHEMBL15542159 | 0.74 | — | — | |
| SCHEMBL15542324 | 0.74 | — | — |
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-2021119265-A1 | ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 | VANDERBILT UNIVERSITY (US) | 2021-06-17 | — | — | WO | disclosed |