⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22130034 | 0.97 | ALDH1A1 (0.41) | — | |
| SCHEMBL379153 | 0.97 | — | — | |
| SCHEMBL30564576 | 0.93 | ALDH1A1 (0.39) | — | |
| Hydrochloric Acid SCHEMBL9004846 | 0.93 | — | — | |
| SCHEMBL29088267 | 0.93 | — | — | |
| Thiosemicarbazide SCHEMBL4562908 | 0.88 | ALDH1A1 (0.59) | — | |
| Urea SCHEMBL27701208 | 0.85 | ALDH1A1 (0.41) | — | |
| SCHEMBL9491675 | 0.79 | ALDH1A1 (0.41) | — | |
| SCHEMBL45851 | 0.73 | — | — | |
| SCHEMBL220407 | 0.73 | — | — |
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-108912149-B | Copper compound with 2-acetyl-3-ethylpyrazine thiosemicarbazone as ligand and synthetic method and application thereof | 广西师范大学 | 2020-12-22 | — | — | CN | disclosed |