⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20908877 | 0.84 | QDPR (0.31) | — | |
| SCHEMBL18923573 | 0.82 | — | — | |
| SCHEMBL20908828 | 0.81 | — | — | |
| SCHEMBL19273202 | 0.78 | QDPR (0.33) | — | |
| SCHEMBL18923571 | 0.77 | QDPR (0.31) | — | |
| SCHEMBL18923605 | 0.77 | QDPR (0.32) | — | |
| SCHEMBL22541519 | 0.76 | QDPR (0.30) | — | |
| SCHEMBL20319917 | 0.76 | QDPR (0.31) | — | |
| SCHEMBL19273205 | 0.76 | QDPR (0.31) | — | |
| SCHEMBL20706018 | 0.76 | QDPR (0.33) | — |
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-10385039-B2 | Bicyclic aza compounds as muscarnic M1 receptor and/or M4 receptor antagonists | HEPTARES THERAPEUTICS LIMITED (GB) | 2019-08-20 | — | — | US | disclosed |
| US-20190112294-A1 | BICYCLIC AZA COMPOUNDS AS MUSCARNIC M1 RECEPTOR AND/OR M4 RECEPTOR ANTAGONISTS | NXERA PHARMA UK LIMITED (GB) | 2019-04-18 | — | — | US | disclosed |