⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22797914 | 0.89 | — | — | |
| SCHEMBL22797856 | 0.86 | — | — | |
| SCHEMBL22797797 | 0.86 | — | — | |
| SCHEMBL22797852 | 0.85 | — | — | |
| SCHEMBL22797845 | 0.83 | — | — | |
| SCHEMBL22797832 | 0.82 | — | — | |
| SCHEMBL22797868 | 0.82 | NAMPT (0.32) | — | |
| SCHEMBL22797836 | 0.82 | — | — | |
| SCHEMBL22797871 | 0.82 | — | — | |
| SCHEMBL22797798 | 0.81 | CHRM2 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3331869-B1 | MUSCARINIC AGONISTS | HEPTARES THERAPEUTICS LTD (GB) | 2020-12-23 | — | — | EP | claimed |