⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18358880 | 0.67 | SLC1A2 (0.43) | — | |
| SCHEMBL18358920 | 0.67 | SLC1A2 (0.43) | — | |
| SCHEMBL18358918 | 0.67 | SLC1A2 (0.43) | — | |
| SCHEMBL8778240 | 0.62 | ANPEP (0.33) | — | |
| SCHEMBL8778332 | 0.60 | KDM4E (0.31) | — | |
| SCHEMBL8778286 | 0.59 | FDPS (0.46) | — | |
| SCHEMBL8778348 | 0.59 | ANPEP (0.33) | — | |
| SCHEMBL8778330 | 0.58 | ANPEP (0.33) | — | |
| SCHEMBL8501288 | 0.56 | ANPEP (0.30) | — | |
| SCHEMBL6180576 | 0.56 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0648120-A1 | USE OF PHOSPHONATES FOR THE TREATMENT OF OSTEOPOROSIS | PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) | 1995-04-19 | — | — | EP | disclosed |
| WO-1994000129-A1 | USE OF PHOSPHONATES FOR THE TREATMENT OF OSTEOPOROSIS | PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) | 1994-01-06 | — | — | WO | disclosed |