⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9769321 | 0.83 | — | — | |
| SCHEMBL5133647 | 0.80 | TSHR (0.30) | — | |
| SCHEMBL5377002 | 0.71 | — | — | |
| SCHEMBL1489998 | 0.70 | TSHR (0.39) | — | |
| SCHEMBL11500440 | 0.70 | — | — | |
| Phosphonic Acid SCHEMBL29217969 | 0.69 | TSHR (0.37) | — | |
| Phosphonic Acid SCHEMBL29217971 | 0.69 | TSHR (0.37) | — | |
| SCHEMBL1489999 | 0.68 | — | — | |
| SCHEMBL3468914 | 0.68 | — | — | |
| SCHEMBL10970555 | 0.68 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008071693-A3 | SUGAR PHOSPHONATES | THERMPHOS TRADING GMBH (CH) | 2008-08-21 | — | — | WO | disclosed |
| WO-2008071693-A2 | SUGAR PHOSPHONATES | THERMPHOS TRADING GMBH (CH) | 2008-06-19 | — | — | WO | disclosed |
| EP-1932858-A1 | Sugar phosphonates | Koninklijke Coöperatie Cosun U.A. (NL) | 2008-06-18 | — | — | EP | disclosed |
| US-5498791-A | AMINE OXIDE AND STABILIZER OF BICARBONATES AND CARBONATES | ALBRIGHT & WILSON, LIMITED (GB) | 1996-03-12 | — | — | US | disclosed |
| EP-0553800-B1 | Nitrosamine and nitrite inhibition | ALBRIGHT & WILSON (GB) | 1995-09-06 | — | — | EP | disclosed |
| US-5442113-A | Adding synergistic mixture of carbonate or bicarbonate and phosphonate to amine oxide product | ALBRIGHT & WILSON LIMITED (GB) | 1995-08-15 | — | — | US | disclosed |
| CN-1084508-A | The inhibition of nitrosamine and nitrite | ALBRIGHT & WILSON (GB) | 1994-03-30 | — | — | CN | disclosed |
| EP-0553800-A2 | Nitrosamine and nitrite inhibition | ALBRIGHT & WILSON UK LIMITED (GB) | 1993-08-04 | — | — | EP | disclosed |