⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26921240 | 0.91 | ALDH1A1 (0.31) | — | |
| SCHEMBL29980347 | 0.82 | JAK2 (0.31) | — | |
| SCHEMBL29993835 | 0.81 | — | — | |
| SCHEMBL31711012 | 0.78 | — | — | |
| SCHEMBL21653820 | 0.74 | LPL (0.33) | — | |
| SCHEMBL29979965 | 0.73 | — | — | |
| SCHEMBL23499456 | 0.72 | BRD4 (0.36) | — | |
| SCHEMBL21631597 | 0.71 | PTPN11 (0.34) | — | |
| SCHEMBL24740793 | 0.71 | ALDH1A1 (0.31) | — | |
| SCHEMBL30591151 | 0.70 | LPL (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 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 |