⚠ 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 | |
|---|---|---|---|---|
| Calcium SCHEMBL31530938 | 1.00 | — | — | |
| Calcium SCHEMBL29433575 | 1.00 | — | — | |
| Calcium SCHEMBL30957187 | 0.87 | — | — | |
| Calcium SCHEMBL30957186 | 0.87 | — | — | |
| Calcium SCHEMBL31409323 | 0.87 | — | — | |
| Calcium SCHEMBL31398236 | 0.87 | — | — | |
| Fluoride SCHEMBL32691829 | 0.87 | — | — | |
| Calcium SCHEMBL31007029 | 0.87 | — | — | |
| Calcium SCHEMBL30278012 | 0.87 | — | — | |
| SCHEMBL10638192 | 0.82 | GSK3B (0.50) | — |
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-119430436-A | Nickel-containing wastewater treatment method and system by utilizing composite calcium zinc aluminum type metal oxide | 威景智慧水务科技(上海)有限公司 | 2025-02-14 | — | — | CN | disclosed |