⚠ 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 SCHEMBL4337955 | 0.82 | CA4 (0.50) | — | |
| Fluoride Ion SCHEMBL94295 | 0.82 | — | — | |
| Fluoride Ion SCHEMBL688751 | 0.67 | — | — | |
| Fluoride Ion SCHEMBL11342283 | 0.67 | — | — | |
| Fluoride Ion SCHEMBL2537447 | 0.67 | — | — | |
| Fluoride Ion SCHEMBL7510909 | 0.67 | — | — | |
| Fluoride Ion SCHEMBL4342708 | 0.67 | — | — | |
| Fluoride Ion SCHEMBL6457981 | 0.67 | — | — | |
| Fluoride Ion SCHEMBL689976 | 0.67 | CA4 (0.33) | — | |
| Fluoride Ion SCHEMBL4340324 | 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 |
|---|---|---|---|---|---|---|---|
| US-5294266-A | Aluminum fluorine zirconate | METALLGESELLSCHAFT AKTIENGESELLSCHAFT (DE) | 1994-03-15 | — | — | US | disclosed |