⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL277292 | 0.87 | CYP2C19 (0.32) | — | |
| SCHEMBL31008679 | 0.85 | ALDH1A1 (0.30) | — | |
| SCHEMBL6725271 | 0.83 | — | — | |
| SCHEMBL23139671 | 0.80 | LMNA (0.32) | — | |
| SCHEMBL13924449 | 0.80 | TSHR (0.33) | — | |
| SCHEMBL23638799 | 0.80 | TSHR (0.33) | — | |
| SCHEMBL27399450 | 0.78 | LMNA (0.42) | — | |
| SCHEMBL21278074 | 0.78 | ALDH1A1 (0.32) | — | |
| SCHEMBL2303905 | 0.77 | — | — | |
| SCHEMBL7107370 | 0.77 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5438048-A | Used for treatment of disorders related to metabolism of calcium and other bivalent metals; treats bone cancer, urolithiasis, rheumatoid arthritis, bone infection and bone degradation | LEIRAS OY (FI) | 1995-08-01 | — | — | US | claimed |
| EP-0563096-A1 | NOVEL METHYLENEBISPHOSPHONIC ACID DERIVATIVES | LEIRAS OY (FI) | 1993-10-06 | — | — | EP | claimed |
| WO-1992011267-A1 | NOVEL METHYLENEBISPHOSPHONIC ACID DERIVATIVES | LEIRAS OY (FI) | 1992-07-09 | — | — | WO | claimed |
| EP-0563096-B1 | NOVEL METHYLENEBISPHOSPHONIC ACID DERIVATIVES | LEIRAS OY (FI) | 2000-05-03 | — | — | EP | disclosed |
| US-5438048-A | Used for treatment of disorders related to metabolism of calcium and other bivalent metals; treats bone cancer, urolithiasis, rheumatoid arthritis, bone infection and bone degradation | LEIRAS OY (FI) | 1995-08-01 | — | — | US | disclosed |