⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8467496 | 1.00 | — | — | |
| SCHEMBL28324247 | 0.77 | — | — | |
| SCHEMBL177612 | 0.77 | — | — | |
| SCHEMBL27427743 | 0.77 | — | — | |
| SCHEMBL18632698 | 0.77 | — | — | |
| SCHEMBL3887188 | 0.75 | CFTR (0.62) | — | |
| SCHEMBL26077987 | 0.74 | KDM4E (0.53) | — | |
| SCHEMBL1581601 | 0.74 | CFTR (0.46) | — | |
| SCHEMBL17135822 | 0.73 | — | — | |
| SCHEMBL178146 | 0.72 | SMN1; SMN2 (0.51) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5869471-A | Methods for the treatment of arthritis using phosphonates and NSAIDS | THE PROCTOR & GAMBLE COMPANY (US) | 1999-02-09 | — | — | US | claimed |
| US-5856314-A | Thio-substituted, Nitrogen-containing, heterocyclic phosphonate compounds, pharmaceutical compositions, and methods of treating abnormal calcium and phosphate metabolism | THE PROCTER & GAMBLE COMPANY (US) | 1999-01-05 | — | — | US | disclosed |