⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20065998 | 1.00 | — | — | |
| SCHEMBL20065981 | 1.00 | — | — | |
| SCHEMBL20065991 | 0.84 | — | — | |
| SCHEMBL20065977 | 0.84 | — | — | |
| SCHEMBL20065978 | 0.84 | — | — | |
| SCHEMBL20737115 | 0.81 | ADH1B (0.41) | — | |
| SCHEMBL9926873 | 0.81 | ADH1B (0.41) | — | |
| SCHEMBL220372 | 0.81 | ADH1B (0.41) | — | |
| SCHEMBL18856133 | 0.79 | ALDH1A1 (0.36) | — | |
| Ammonia Solution, Strong SCHEMBL7567537 | 0.78 | ADH1B (0.39) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11834407-B2 | Substituted cyclohexanes as muscarinic M1 receptor and/or M4 receptor agonists | HEPTARES THERAPEUTICS LIMITED (GB) | 2023-12-05 | — | — | US | disclosed |
| EP-3110810-B1 | PYRAZOLE AMIDE DERIVATIVE | TEIJIN PHARMA LTD (JP) | 2018-05-02 | — | — | EP | disclosed |
| US-20180105491-A1 | PHARMACEUTICAL COMPOUNDS | NXERA PHARMA UK LIMITED (GB) | 2018-04-19 | — | — | US | disclosed |