Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
The experimentally established mechanism targets of Fluoride. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 SCHEMBL2494446 | 1.00 | — | — | |
| Fluoride SCHEMBL7724825 | 1.00 | CA4 (0.50) | — | |
| Fluoride SCHEMBL546207 | 1.00 | — | — | |
| Fluoride SCHEMBL5238901 | 1.00 | — | — | |
| Fluoride SCHEMBL20918134 | 1.00 | — | — | |
| Fluoride SCHEMBL25249859 | 1.00 | — | — | |
| Fluoride SCHEMBL11537573 | 1.00 | — | — | |
| Fluoride SCHEMBL21987906 | 0.82 | — | — | |
| Fluoride SCHEMBL21357935 | 0.82 | — | — | |
| Fluoride SCHEMBL21987851 | 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-20020160272-A1 | Process for producing a modified electrolyte and the modified electrolyte | KABUSHIKI KAISHA TOYOTA CHUO (JP) | 2002-10-31 | — | — | US | disclosed |