⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17261825 | 0.71 | — | — | |
| Charcoal, Activated SCHEMBL2273289 | 0.71 | — | — | |
| SCHEMBL27427293 | 0.71 | — | — | |
| Hydrogen Sulfide SCHEMBL15741131 | 0.71 | — | — | |
| Fluoride Ion SCHEMBL22981870 | 0.50 | — | — | |
| Fluoride Ion SCHEMBL552564 | 0.50 | — | — | |
| Fluoride Ion SCHEMBL21829535 | 0.50 | — | — | |
| Fluoride Ion SCHEMBL22352677 | 0.50 | — | — | |
| Fluoride Ion SCHEMBL7640529 | 0.50 | — | — | |
| Fluoride Ion SCHEMBL4746079 | 0.50 | — | — |
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-7967984-B2 | Apparatus for water treatment and method of treating water | ASAHI KASEI CHEMICALS CORPORATION (JP) | 2011-06-28 | — | — | US | disclosed |