⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21061 | 0.83 | — | — | |
| SCHEMBL14128272 | 0.83 | — | — | |
| Formaldehyde SCHEMBL27838123 | 0.77 | MEN1 (0.40) | — | |
| SCHEMBL27861243 | 0.74 | MEN1 (0.38) | — | |
| SCHEMBL30457344 | 0.73 | — | — | |
| SCHEMBL22090233 | 0.68 | — | — | |
| SCHEMBL147208 | 0.67 | — | — | |
| SCHEMBL11753456 | 0.65 | GLS (0.42) | — | |
| SCHEMBL11749971 | 0.65 | ADORA2A (0.44) | — | |
| SCHEMBL544920 | 0.65 | RAB9A (0.45) | — |
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-20230183237-A1 | COMPETITIVE AND NONCOMPETITIVE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 | VANDERBILT UNIVERSITY | 2023-06-15 | — | — | US | disclosed |