⚠ 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 SCHEMBL5965381 | 0.87 | — | — | |
| Fluoride SCHEMBL379697 | 0.87 | — | — | |
| Fluoride SCHEMBL28171273 | 0.87 | — | — | |
| Fluoride SCHEMBL11342309 | 0.87 | — | — | |
| Fluoride SCHEMBL11569014 | 0.87 | — | — | |
| Fluoride SCHEMBL1142892 | 0.87 | — | — | |
| Fluoride SCHEMBL1066932 | 0.87 | — | — | |
| Fluoride SCHEMBL4338143 | 0.75 | — | — | |
| Fluoride SCHEMBL4338361 | 0.75 | — | — | |
| Fluoride SCHEMBL7059333 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101479214-A | Composition for coloring ceramic articles | GRAZIANO VIGNALI (IT) | 2009-07-08 | — | — | CN | disclosed |