⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9172962 | 0.72 | — | — | |
| SCHEMBL8467964 | 0.69 | MEN1 (0.32) | — | |
| SCHEMBL7797082 | 0.66 | MMP2 (0.37) | — | |
| SCHEMBL9740737 | 0.64 | TSHR (0.31) | — | |
| Biphenyl SCHEMBL8370297 | 0.61 | ALDH1A1 (0.53) | — | |
| SCHEMBL9537434 | 0.58 | TSHR (0.32) | — | |
| SCHEMBL29133211 | 0.57 | ALDH1A1 (0.47) | — | |
| SCHEMBL29133230 | 0.57 | ALDH1A1 (0.47) | — | |
| SCHEMBL29133239 | 0.57 | ALDH1A1 (0.47) | — | |
| SCHEMBL29133237 | 0.57 | ALDH1A1 (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5104863-A | Certain bicycloalkane and azabicycloalkane-1,1-diphosphonic acid derivatives useful for treating diseases associated with abnormal calcium and phosphate metabolism | THE PROCTER & GAMBLE COMPANY (US) | 1992-04-14 | — | — | US | disclosed |
| US-4939131-A | Certain cycloalkane-1,1-diphosphonic acids and derivatives thereof having the ability to treat diseases associated with abnormal calcium and phosphate metabolism | THE PROCTER & GAMBLE COMPANY (US) | 1990-07-03 | — | — | US | disclosed |
| EP-0304962-A2 | Novel diphosphonates and use thereof in pharmaceutical compositions | THE PROCTER & GAMBLE COMPANY (US) | 1989-03-01 | — | — | EP | disclosed |
| EP-0304961-A2 | Novel diphosphonates and use thereof in pharmaceutical compositions | THE PROCTER & GAMBLE COMPANY (US) | 1989-03-01 | — | — | EP | disclosed |
| US-4687768-A | OSTEOPOROSIS, ARTHRITIS | THE PROCTER & GAMBLE COMPANY (US) | 1987-08-18 | — | — | US | disclosed |
| EP-0189662-A1 | Novel diphosphonates and use thereof in pharmaceutical compositions | THE PROCTER & GAMBLE COMPANY (US) | 1986-08-06 | — | — | EP | disclosed |