⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9657544 | 0.74 | TSHR (0.33) | — | |
| SCHEMBL822065 | 0.69 | — | — | |
| SCHEMBL1083202 | 0.67 | LAP3 (0.33) | — | |
| SCHEMBL630554 | 0.67 | — | — | |
| SCHEMBL15562142 | 0.65 | — | — | |
| SCHEMBL302227 | 0.65 | — | — | |
| SCHEMBL3957159 | 0.63 | — | — | |
| SCHEMBL6404408 | 0.63 | — | — | |
| SCHEMBL442716 | 0.63 | — | — | |
| SCHEMBL3397257 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5312953-A | Reacting alkali/ne earth/ salt of hydroxyalkylphosphonic acid dialkyl ester with a 2-benzyloxyalkyl sulfonate, hydrogenating product, reacting with hydrogen ion acceptor and a sulfonyl chloride, reacting product with hydroxyalkylphosphonate | W. R. GRACE & CO.-CONN. (US) | 1994-05-17 | — | — | US | disclosed |
| US-5266722-A | Corrosion resistance | W. R. GRACE & CO.-CONN. (US) | 1993-11-30 | — | — | US | disclosed |
| EP-0368154-A1 | Polyether bis-phosphonic acid compounds | W.R. Grace & Co.-Conn. (US) | 1990-05-16 | — | — | EP | disclosed |