⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22653220 | 0.93 | — | — | |
| SCHEMBL24469584 | 0.78 | CHRNA7 (0.31) | — | |
| SCHEMBL9858652 | 0.74 | — | — | |
| SCHEMBL20942461 | 0.70 | NEK2 (0.31) | — | |
| SCHEMBL11368873 | 0.70 | — | — | |
| SCHEMBL11364638 | 0.67 | OPRD1 (0.40) | — | |
| SCHEMBL17101519 | 0.67 | — | — | |
| SCHEMBL4458406 | 0.66 | MEN1 (0.36) | — | |
| SCHEMBL21015036 | 0.58 | HSD11B1 (0.33) | — | |
| SCHEMBL11231811 | 0.57 | NEK2 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3271358-B1 | SPIROCYCLIC COMPOUNDS AS AGONISTS OF THE MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR | HEPTARES THERAPEUTICS LTD (GB) | 2020-11-18 | — | — | EP | disclosed |