⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL245656 | 0.97 | — | — | |
| SCHEMBL1679826 | 0.97 | — | — | |
| SCHEMBL245655 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL27691169 | 0.93 | — | — | |
| Ethylene SCHEMBL28308303 | 0.90 | — | — | |
| Propene SCHEMBL28257923 | 0.88 | — | — | |
| Dimethylamine SCHEMBL28676804 | 0.88 | — | — | |
| Dimethylamine SCHEMBL28552950 | 0.85 | TSHR (0.30) | — | |
| Dimethylamine SCHEMBL3170032 | 0.85 | TSHR (0.30) | — | |
| SCHEMBL28183838 | 0.85 | ALDH1A1 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1288008-A | Sulfur-bearing phospho acid compound, pharmaceutical composite and use in prepn. of medicine | PROCTER & GAMBLE PHARMA (US) | 2001-03-21 | — | — | CN | disclosed |
| CN-1061049-C | Sulfur-containing phosphonic acid compounds, pharmaceutical compositions and their use in the manufacture of medicaments | PROCTER & GAMBLE PHARMA (US) | 2001-01-24 | — | — | CN | disclosed |
| CN-1096787-A | Sulfur-containing phosphonic acid compounds, pharmaceutical compositions, and methods for treating abnormal calcium and phosphate metabolism | PROCTER & GAMBLE PHARMA (US) | 1994-12-28 | — | — | CN | disclosed |