⚠ 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 SCHEMBL29915526 | 1.00 | — | — | |
| Calcium SCHEMBL31050974 | 0.87 | — | — | |
| Calcium SCHEMBL31371093 | 0.87 | — | — | |
| Calcium SCHEMBL31490738 | 0.87 | — | — | |
| Calcium SCHEMBL31398236 | 0.87 | — | — | |
| Calcium SCHEMBL31672136 | 0.87 | — | — | |
| Calcium SCHEMBL30887263 | 0.87 | — | — | |
| Calcium SCHEMBL34463630 | 0.87 | — | — | |
| Calcium SCHEMBL31282029 | 0.87 | — | — | |
| Calcium SCHEMBL30278012 | 0.87 | — | — |
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-112798549-B | Method for determining sodium ion content in peritoneal dialysis solution by ultra-low acid hydrolysis-atomic absorption method | 西安乐析医疗科技有限公司 | 2022-09-02 | — | — | CN | disclosed |