⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3596245 | 0.78 | — | — | |
| SCHEMBL31384945 | 0.78 | — | — | |
| SCHEMBL4202751 | 0.78 | — | — | |
| SCHEMBL4195520 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL29753774 | 0.77 | HRH3 (0.38) | — | |
| Hydrochloric Acid SCHEMBL29753797 | 0.77 | HRH3 (0.38) | — | |
| Hydrochloric Acid SCHEMBL29753801 | 0.77 | HRH3 (0.38) | — | |
| Hydrochloric Acid SCHEMBL19510774 | 0.77 | HRH3 (0.38) | — | |
| SCHEMBL3303200 | 0.75 | — | — | |
| SCHEMBL213201 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0646119-B1 | QUATERNARY NITROGEN-CONTAINING PHOSPHONATE COMPOUNDS FOR TREATING ABNORMAL CALCIUM AND PHOSPHATE METABOLISM AS WELL AS DENTAL CALCULUS AND PLAQUE | PROCTER & GAMBLE PHARMA (US) | 1998-07-15 | — | — | EP | disclosed |
| EP-0849272-A1 | Quaternary nitrogen-containing phosphonate compounds for treating abnormal calcium and phosphate metabolism as well as dental calculus and plaque | Procter & Gamble Pharmaceuticals, Inc. (US) | 1998-06-24 | — | — | EP | disclosed |
| US-5770586-A | Quaternary nitrogen-containing phosphonate compounds, pharmaceutical compositions, and methods of treating abnormal calcium and phosphate metabolism amd methods of treating and preventing dental calculus and plaque | THE PROCTER & GAMBLE COMPANY (US) | 1998-06-23 | — | — | US | disclosed |
| US-5391743-A | Treating osteoporosis, rheumatoid arthritis, osteoarthritis | PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) | 1995-02-21 | — | — | US | disclosed |