⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4925004 | 0.97 | POLB (0.47) | — | |
| SCHEMBL1401020 | 0.94 | — | — | |
| SCHEMBL16268609 | 0.83 | POLB (0.38) | — | |
| SCHEMBL16931079 | 0.81 | POLB (0.41) | — | |
| SCHEMBL24536621 | 0.79 | CRBN (0.33) | — | |
| SCHEMBL7171070 | 0.78 | CRBN (0.39) | — | |
| SCHEMBL13282119 | 0.78 | NEK2 (0.46) | — | |
| SCHEMBL7164814 | 0.78 | CRBN (0.46) | — | |
| SCHEMBL17047056 | 0.78 | POLB (0.42) | — | |
| SCHEMBL425591 | 0.78 | POLB (0.34) | — |
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-10167284-B2 | Spirocyclic compounds as agonists of the muscarinic M1 receptor and/or M4 receptor | HEPTARES THERAPEUTICS LIMITED (GB) | 2019-01-01 | — | — | US | disclosed |
| US-20180072727-A1 | SPIROCYCLIC COMPOUNDS AS AGONISTS OF THE MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR | NXERA PHARMA UK LIMITED (GB) | 2018-03-15 | — | — | US | disclosed |