⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3362811 | 0.97 | — | — | |
| SCHEMBL30865503 | 0.82 | — | — | |
| SCHEMBL4164486 | 0.81 | — | — | |
| SCHEMBL220514 | 0.78 | — | — | |
| SCHEMBL26031747 | 0.77 | HDAC3 (0.34) | — | |
| SCHEMBL26031744 | 0.77 | HDAC3 (0.34) | — | |
| SCHEMBL27818478 | 0.76 | — | — | |
| SCHEMBL28332402 | 0.76 | — | — | |
| SCHEMBL28334389 | 0.76 | — | — | |
| Phosphonic Acid SCHEMBL297053 | 0.74 | TSHR (0.35) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0650361-B1 | COMPOSITIONS FOR THE TREATMENT OF ARTHRITIS CONTAINING PHOSPHONATES AND NSAIDS | PROCTER & GAMBLE PHARMA (US) | 1999-04-28 | — | — | 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 |
| WO-1994000130-A1 | COMPOSITIONS FOR THE TREATMENT OF ARTHRITIS CONTAINING PHOSPHONATES AND NSAIDS | PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) | 1994-01-06 | — | — | WO | disclosed |