⚠ 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 SCHEMBL497862 | 0.82 | — | — | |
| Fluoride Ion SCHEMBL12803687 | 0.67 | — | — | |
| Fluoride SCHEMBL11129125 | 0.67 | — | — | |
| Fluoride Ion SCHEMBL1449832 | 0.67 | — | — | |
| Fluoride Ion SCHEMBL3293912 | 0.67 | — | — | |
| Fluoride Ion SCHEMBL1449912 | 0.67 | — | — | |
| Fluoride Ion SCHEMBL11176678 | 0.67 | — | — | |
| Fluoride Ion SCHEMBL11129118 | 0.67 | — | — | |
| Fluoride Ion SCHEMBL11871310 | 0.67 | — | — | |
| Fluoride Ion SCHEMBL29118220 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6218055-B1 | CONTAINING A FLUORIDE COMPOUND | MINE SAFETY APPLIANCES COMPANY | 2001-04-17 | — | — | US | disclosed |
| WO-1999063607-A1 | ELECTROCHEMICAL POWER CELLS AND METHOD OF IMPROVING ELECTROCHEMICAL POWER CELL PERFORMANCE | MINE SAFETY APPLIANCES COMPANY (US) | 1999-12-09 | — | — | WO | disclosed |