⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9740020 | 0.73 | — | — | |
| SCHEMBL9737829 | 0.68 | HTT (0.35) | — | |
| SCHEMBL8715412 | 0.56 | TSHR (0.50) | — | |
| Hexamethylbenzene SCHEMBL31169615 | 0.56 | FDPS (0.67) | — | |
| SCHEMBL9538717 | 0.56 | TSHR (0.43) | — | |
| SCHEMBL4737506 | 0.56 | CA2 (0.35) | — | |
| SCHEMBL18334410 | 0.56 | CA2 (0.35) | — | |
| Phosphoric Acid SCHEMBL27654488 | 0.55 | — | — | |
| SCHEMBL5007849 | 0.55 | TSHR (0.55) | — | |
| SCHEMBL594470 | 0.55 | TSHR (0.55) | — |
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-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 |
| 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 |