⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8501863 | 0.98 | — | — | |
| SCHEMBL8467486 | 0.77 | — | — | |
| SCHEMBL8498316 | 0.71 | MEN1 (0.33) | — | |
| Iodide SCHEMBL8500685 | 0.70 | MEN1 (0.33) | — | |
| Iodide SCHEMBL8468039 | 0.70 | MEN1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL8498376 | 0.70 | MEN1 (0.33) | — | |
| SCHEMBL9435715 | 0.67 | MMP2 (0.35) | — | |
| SCHEMBL9175814 | 0.65 | — | — | |
| SCHEMBL8467967 | 0.63 | — | — | |
| Iodide SCHEMBL8465241 | 0.60 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0643716-B1 | QUATERNARY NITROGEN-CONTAINING PHOSPHONATE COMPOUNDS FOR TREATING ABNORMAL CALCIUM AND PHOSPHATE METABOLISM | PROCTER & GAMBLE PHARMA (US) | 1999-12-08 | — | — | EP | disclosed |
| US-5869471-A | Methods for the treatment of arthritis using phosphonates and NSAIDS | THE PROCTOR & GAMBLE COMPANY (US) | 1999-02-09 | — | — | US | disclosed |
| US-5753634-A | TREATING OR PREVENTING ARTHRITIS AND OSTEOPOROSIS | THE PROCTER & GAMBLE COMPANY (US) | 1998-05-19 | — | — | US | disclosed |
| EP-0650361-A1 | COMPOSITIONS FOR THE TREATMENT OF ARTHRITIS CONTAINING PHOSPHONATES AND NSAIDS | PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) | 1995-05-03 | — | — | EP | disclosed |
| EP-0643716-A1 | QUATERNARY NITROGEN-CONTAINING PHOSPHONATE COMPOUNDS FOR TREATING ABNORMAL CALCIUM AND PHOSPHATE METABOLISM | THE PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) | 1995-03-22 | — | — | EP | disclosed |
| WO-1993024499-A1 | QUATERNARY NITROGEN-CONTAINING PHOSPHONATE COMPOUNDS FOR TREATING ABNORMAL CALCIUM AND PHOSPHATE METABOLISM | PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) | 1993-12-09 | — | — | WO | disclosed |