⚠ 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 | |
|---|---|---|---|---|
| Fluoride Ion SCHEMBL27123659 | 0.89 | — | — | |
| Fluoride Ion SCHEMBL28195996 | 0.89 | — | — | |
| Fluoride Ion SCHEMBL8014471 | 0.78 | — | — | |
| Fluoride Ion SCHEMBL1485813 | 0.78 | — | — | |
| Fluoride Ion SCHEMBL1485958 | 0.78 | — | — | |
| Fluoride Ion SCHEMBL27897706 | 0.78 | — | — | |
| Fluoride Ion SCHEMBL27865310 | 0.67 | — | — | |
| Fluoride Ion SCHEMBL28003063 | 0.67 | — | — | |
| Fluoride Ion SCHEMBL27881655 | 0.67 | — | — | |
| Fluoride Ion SCHEMBL28305728 | 0.67 | — | — |
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-116334755-A | Large-size high-damage-resistance holmium-doped lutetium yttrium barium fluoride crystal and preparation method thereof | 中国科学院长春应用化学研究所 | 2023-06-27 | — | — | CN | disclosed |