⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20300390 | 0.81 | CHEK1 (0.38) | — | |
| SCHEMBL31098567 | 0.81 | GAA (0.41) | — | |
| SCHEMBL30503673 | 0.81 | CHEK1 (0.38) | — | |
| SCHEMBL29289892 | 0.81 | GAA (0.41) | — | |
| SCHEMBL481795 | 0.75 | S100A4 (0.45) | — | |
| SCHEMBL30851303 | 0.74 | CACNA1G (0.31) | — | |
| SCHEMBL18939906 | 0.71 | — | — | |
| SCHEMBL1162921 | 0.71 | NPC1 (0.41) | — | |
| SCHEMBL31098477 | 0.71 | ESR2 (0.45) | — | |
| SCHEMBL15284506 | 0.71 | CA1 (0.38) | — |
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-2023104155-A1 | LIGAND COMPOUNDS FOR E3 UBIQUITIN LIGASE, PROTEIN DEGRADERS DEVELOPED ON BASIS OF LIGAND COMPOUNDS, AND USES THEREOF | 标新生物医药科技(上海)有限公司 | 2023-06-15 | — | — | WO | disclosed |