⚠ 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 SCHEMBL9853561 | 1.00 | — | — | |
| Fluoride SCHEMBL395166 | 1.00 | — | — | |
| Fluoride SCHEMBL7160502 | 1.00 | — | — | |
| Fluoride SCHEMBL395168 | 1.00 | — | — | |
| SCHEMBL23300 | 0.93 | — | — | |
| Bromide SCHEMBL30294169 | 0.86 | — | — | |
| Fluoride SCHEMBL6715019 | 0.68 | — | — | |
| Fluoride SCHEMBL29163499 | 0.68 | — | — | |
| Fluoride SCHEMBL28284636 | 0.68 | — | — | |
| SCHEMBL23622 | 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 |
|---|---|---|---|---|---|---|---|
| EP-0458151-A1 | Bis-amino-trifluoromethylsulfonium-difluorotrimethyl silicates | BAYER AG (DE) | 1991-11-27 | — | — | EP | disclosed |