⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30416279 | 0.76 | LMNA (0.38) | — | |
| SCHEMBL7017219 | 0.72 | PLA2G4A (0.35) | — | |
| SCHEMBL9438232 | 0.71 | ACLY (0.48) | — | |
| SCHEMBL185832 | 0.71 | — | — | |
| SCHEMBL25772273 | 0.71 | ACLY (0.48) | — | |
| SCHEMBL13526080 | 0.71 | ALDH1A1 (0.46) | — | |
| SCHEMBL27009182 | 0.70 | ACLY (0.38) | — | |
| SCHEMBL9746820 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL1372205 | 0.69 | — | — | |
| SCHEMBL28665121 | 0.69 | ACLY (0.46) | — |
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-110831584-B | Targeted drug rescue with novel compositions, combinations and methods thereof | 埃克塞瓦有限责任公司 | 2023-03-10 | — | — | CN | disclosed |