⚠ 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 Chloride SCHEMBL5381230 | 0.89 | — | — | |
| Calcium Chloride SCHEMBL22532692 | 0.80 | — | — | |
| Calcium Chloride SCHEMBL21751993 | 0.80 | — | — | |
| Calcium Chloride SCHEMBL28983949 | 0.80 | TSHR (0.30) | — | |
| Calcium Chloride SCHEMBL23441478 | 0.80 | — | — | |
| Calcium Chloride SCHEMBL25175017 | 0.80 | — | — | |
| Calcium Chloride SCHEMBL19989728 | 0.80 | — | — | |
| Calcium Chloride SCHEMBL23803973 | 0.80 | — | — | |
| Calcium Chloride SCHEMBL20577233 | 0.80 | — | — | |
| Calcium Chloride SCHEMBL28487429 | 0.80 | — | — |
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-112374523-A | Preparation method of nano cerium oxide with strong ultraviolet ray shielding performance | 常州市卓群纳米新材料有限公司 | 2021-02-19 | — | — | CN | disclosed |