⚠ 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 SCHEMBL50564 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL7945268 | 0.67 | — | — | |
| Fluoride SCHEMBL9753760 | 0.67 | CA4 (0.33) | — | |
| Fluoride SCHEMBL11428227 | 0.67 | CA4 (0.33) | — | |
| Fluoride SCHEMBL17766113 | 0.67 | CA4 (0.33) | — | |
| Fluoride SCHEMBL14575052 | 0.67 | — | — | |
| Fluoride SCHEMBL10786586 | 0.67 | — | — | |
| Fluoride SCHEMBL3284423 | 0.67 | — | — | |
| Fluoride SCHEMBL5272259 | 0.67 | — | — | |
| Fluoride SCHEMBL21834667 | 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-5373986-A | Fluoride cleaning of metal surfaces and product | C.A. PATENTS, L.L.C. | 1994-12-20 | — | — | US | disclosed |