⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21549978 | 1.00 | — | — | |
| SCHEMBL18972203 | 1.00 | — | — | |
| SCHEMBL12346568 | 0.90 | — | — | |
| SCHEMBL21363829 | 0.89 | — | — | |
| SCHEMBL17177280 | 0.89 | — | — | |
| SCHEMBL21567573 | 0.87 | — | — | |
| SCHEMBL21795530 | 0.83 | — | — | |
| SCHEMBL15184433 | 0.80 | — | — | |
| SCHEMBL19574903 | 0.79 | CYP2D6 (0.36) | — | |
| SCHEMBL23134752 | 0.78 | GBA1 (0.32) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10259787-B2 | Substituted cyclohexanes as muscarinic M1 receptor and/or M4 receptor agonists | HEPTARES THERAPEUTICS LIMITED (GB) | 2019-04-16 | — | — | US | disclosed |
| US-20180105491-A1 | PHARMACEUTICAL COMPOUNDS | NXERA PHARMA UK LIMITED (GB) | 2018-04-19 | — | — | US | disclosed |