⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18235450 | 0.79 | — | — | |
| SCHEMBL23240888 | 0.67 | — | — | |
| SCHEMBL15052687 | 0.66 | — | — | |
| SCHEMBL30976571 | 0.64 | — | — | |
| SCHEMBL18501257 | 0.62 | — | — | |
| SCHEMBL10176083 | 0.62 | — | — | |
| SCHEMBL9346974 | 0.62 | — | — | |
| SCHEMBL9730081 | 0.60 | — | — | |
| SCHEMBL17854862 | 0.60 | — | — | |
| SCHEMBL15053179 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230212139-A1 | 2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS | NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. | 2023-07-06 | — | — | US | disclosed |