⚠ 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 SCHEMBL27579999 | 0.87 | — | — | |
| Fluoride SCHEMBL3098168 | 0.82 | — | — | |
| Fluoride SCHEMBL10339064 | 0.82 | — | — | |
| Fluoride SCHEMBL11653725 | 0.82 | — | — | |
| Fluoride SCHEMBL18783183 | 0.82 | — | — | |
| Fluoride SCHEMBL402592 | 0.82 | — | — | |
| Fluoride SCHEMBL11653314 | 0.82 | — | — | |
| Fluoride SCHEMBL2005440 | 0.82 | — | — | |
| Fluoride SCHEMBL1077285 | 0.82 | — | — | |
| Fluoride SCHEMBL730810 | 0.82 | — | — |
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-5480845-A | INDIUM FLUORIDE, ZINC FLUORIDE AND METAL FLUORIDE | LE VERRE FLUORE SA (FR) | 1996-01-02 | — | — | US | claimed |