⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9016919 | 0.83 | S1PR2 (0.32) | — | |
| SCHEMBL24828714 | 0.66 | — | — | |
| SCHEMBL13069213 | 0.64 | CA1 (0.33) | — | |
| SCHEMBL27338848 | 0.63 | — | — | |
| SCHEMBL20903570 | 0.62 | CA1 (0.34) | — | |
| SCHEMBL24389250 | 0.62 | CA1 (0.35) | — | |
| SCHEMBL3721399 | 0.62 | — | — | |
| SCHEMBL3721400 | 0.62 | — | — | |
| SCHEMBL4555410 | 0.62 | — | — | |
| SCHEMBL14302345 | 0.62 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1044912-C | Novel thio-substituted cyclic phosphonate compounds, pharmaceutical compositions, and methods for treating abnormal calcium and phosphate metabolism | PROCTER & GAMBLE PHARMA (US) | 1999-09-01 | — | — | CN | disclosed |