⚠ 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 SCHEMBL1618087 | 1.00 | — | — | |
| Fluoride SCHEMBL1205025 | 1.00 | — | — | |
| Fluoride SCHEMBL180935 | 1.00 | — | — | |
| Fluoride SCHEMBL497864 | 1.00 | — | — | |
| Fluoride SCHEMBL29277879 | 1.00 | — | — | |
| Fluoride SCHEMBL4292758 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL7065512 | 0.82 | — | — | |
| Fluoride SCHEMBL457748 | 0.82 | — | — | |
| Fluoride SCHEMBL8835374 | 0.82 | — | — | |
| Fluoride SCHEMBL5072403 | 0.82 | — | — |
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-5898011-A | COMPOSITION COMPRISING ZEOLITE HAVING INCORPORATED THEREIN PROMOTER WHICH COMPRISES GROUP VIII METAL OR METAL OXIDE AND GROUP IVA METAL OR METAL OXIDE | PHILLIPS PETROLEUM COMPANY (US) | 1999-04-27 | — | — | US | disclosed |