⚠ 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 Ion SCHEMBL719923 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL4622198 | 0.80 | — | — | |
| SCHEMBL31667874 | 0.78 | — | — | |
| Fluoride Ion SCHEMBL3288916 | 0.78 | — | — | |
| SCHEMBL7560147 | 0.67 | — | — | |
| Water SCHEMBL721822 | 0.67 | — | — | |
| Bromide SCHEMBL337779 | 0.67 | — | — | |
| SCHEMBL5147637 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL191166 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL2369365 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4277292-A | AQUEOUS ACID SOLUTION OF TANNIN, ZIRCONIUM AND FLUORIDE IONS FOR COATING ALUMINUM CANS | CORAL CHEMICAL COMPANY (US) | 1981-07-07 | — | — | US | claimed |
| US-6419731-B2 | MIXTURE OF ZIRCONIUM COMPOUND, FLUORIDE COMPOUND, WATER SOLUBLE RESIN AND ALUMINUM COMPOUND | NIPPON PAINT CO., LTD. (JP) | 2002-07-16 | — | — | US | disclosed |
| US-20010050029-A1 | Nonchromate rust preventive agent for aluminum, method of rust prevention and rust-preventive aluminum prdoducts | NIPPON PAINT CO., LTD. | 2001-12-13 | — | — | US | disclosed |
| US-4277292-A | AQUEOUS ACID SOLUTION OF TANNIN, ZIRCONIUM AND FLUORIDE IONS FOR COATING ALUMINUM CANS | CORAL CHEMICAL COMPANY (US) | 1981-07-07 | — | — | US | disclosed |