⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21719333 | 0.78 | ALDH1A1 (0.36) | — | |
| SCHEMBL24740664 | 0.76 | HPGD (0.38) | — | |
| SCHEMBL16454220 | 0.74 | HPGD (0.30) | — | |
| SCHEMBL16454731 | 0.74 | HSP90AA1 (0.32) | — | |
| SCHEMBL27692401 | 0.69 | — | — | |
| SCHEMBL802374 | 0.66 | — | — | |
| SCHEMBL21719285 | 0.65 | ALDH1A1 (0.33) | — | |
| SCHEMBL13639089 | 0.62 | — | — | |
| SCHEMBL23091974 | 0.62 | — | — | |
| SCHEMBL12127323 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022212819-A1 | INDAZOLE DERIVATIVES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 | VANDERBILT UNIVERSITY (US) | 2022-10-06 | — | — | WO | disclosed |