⚠ 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 | |
|---|---|---|---|---|
| Magnesium SCHEMBL29833007 | 1.00 | — | — | |
| Magnesium SCHEMBL29833027 | 1.00 | — | — | |
| Magnesium SCHEMBL30468100 | 0.87 | — | — | |
| Magnesium SCHEMBL32685209 | 0.87 | — | — | |
| Magnesium SCHEMBL31003735 | 0.87 | — | — | |
| Magnesium SCHEMBL31683780 | 0.87 | — | — | |
| SCHEMBL11506975 | 0.82 | — | — | |
| SCHEMBL11315569 | 0.82 | — | — | |
| SCHEMBL1847217 | 0.82 | — | — | |
| Magnesium SCHEMBL29350366 | 0.82 | — | — |
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-114318030-B | Method for preparing aluminum-based alloy by melting waste zirconium/chromium-containing refractory material with cryolite | 东北大学 | 2022-10-14 | — | — | CN | disclosed |