⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31292053 | 0.90 | GRM4 (0.32) | — | |
| SCHEMBL18150948 | 0.83 | — | — | |
| SCHEMBL18150981 | 0.83 | — | — | |
| SCHEMBL31292038 | 0.79 | GSK3B (0.34) | — | |
| SCHEMBL29795032 | 0.76 | PDE5A (0.35) | — | |
| SCHEMBL18151444 | 0.76 | PDE5A (0.35) | — | |
| SCHEMBL29794975 | 0.75 | — | — | |
| SCHEMBL29795015 | 0.75 | PIK3CA (0.35) | — | |
| SCHEMBL18159829 | 0.75 | TNF (0.33) | — | |
| SCHEMBL18151279 | 0.75 | TNF (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 |
|---|---|---|---|---|---|---|---|
| CN-119212727-A | Targeted bifunctional degradants | 耶鲁大学 | 2024-12-27 | — | — | CN | disclosed |