⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL28769887 | 0.71 | — | — | |
| SCHEMBL27427293 | 0.71 | — | — | |
| Fluoride Ion SCHEMBL4746079 | 0.50 | — | — | |
| Fluoride Ion SCHEMBL7640529 | 0.50 | — | — | |
| Fluoride Ion SCHEMBL1087257 | 0.50 | — | — | |
| Fluoride Ion SCHEMBL22981870 | 0.50 | — | — | |
| Fluoride Ion SCHEMBL552564 | 0.50 | — | — | |
| Fluoride Ion SCHEMBL21829535 | 0.50 | — | — | |
| Fluoride Ion SCHEMBL22352677 | 0.50 | — | — | |
| Fluoride Ion SCHEMBL23200840 | 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 |
|---|---|---|---|---|---|---|---|
| CN-104803413-A | Preparation method of titanium tetrafluoride | DO FLUORIDE CHEMICALS CO LTD | 2015-07-29 | — | — | CN | disclosed |