⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL990591 | 0.79 | SMPD1 (0.33) | — | |
| SCHEMBL7039586 | 0.74 | — | — | |
| SCHEMBL7043188 | 0.72 | — | — | |
| SCHEMBL11151287 | 0.69 | — | — | |
| SCHEMBL28681938 | 0.69 | CTSA (0.33) | — | |
| SCHEMBL466568 | 0.69 | CTSA (0.33) | — | |
| SCHEMBL190774 | 0.67 | CTSA (0.36) | — | |
| SCHEMBL2056593 | 0.67 | CTSA (0.32) | — | |
| SCHEMBL2352826 | 0.67 | — | — | |
| SCHEMBL1994460 | 0.65 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2448950-A1 | SYNTHESIS OF N4- (2, 2-DIMETHYL-4- [ (DIHYDROGEN PHOSPHONOXY]-3-OXO-5-PYRIDO [1, 4]OXAZIN-6-YL)-5-FLUORO-N2- (3, 4, 5,-TRIMETHOXYPHENYL) -2, 4- PYRIMIDINEDIAMINE DISODIUM SALT | Rigel Pharmaceuticals, Inc. (US) | 2012-05-09 | — | — | EP | disclosed |
| WO-2011002999-A1 | SYNTHESIS OF N4- (2, 2-DIMETHYL-4- [ (DIHYDROGEN PHOSPHONOXY ] -3-OXO-5-PYRIDO [1, 4] OXAZIN-6-YL)-5-FLUORO-N2- (3, 4, 5,-TRIMETHOXYPHENYL) -2, 4- PYRIMIDINEDIAMINE DISODIUM SALT | RIGEL PHARMACEUTICALS, INC. (US) | 2011-01-06 | — | — | WO | disclosed |
| EP-1034177-B1 | PROCESS FOR PRODUCING HALOGEN-CONTAINING PHOSPHATE ESTER | DAIHACHI CHEM IND (JP) | 2003-03-26 | — | — | EP | disclosed |
| US-6211396-B1 | REACTING A PHOSPHORUS HALIDE SELECTED FROM PHOSPHORUS OXYHALIDES AND PHOSPHORUS PENTAHALIDES WITH A HALOGEN-CONTAINING HYDROXY COMPOUND TO OBTAIN A REACTION MIXTURE INCLUDING A HALOGEN-CONTAINING PHOSPHATE ESTER | DAIHACHI CHEMICAL INDUSTRY CO., LTD. (JP) | 2001-04-03 | — | — | US | disclosed |
| EP-1034177-A1 | PROCESS FOR PRODUCING HALOGEN-CONTAINING PHOSPHATE ESTER | DAIHACHI CHEMICAL INDUSTRY CO., LTD. (JP) | 2000-09-13 | — | — | EP | disclosed |
| WO-2000006584-A1 | PROCESS FOR PRODUCING HALOGEN-CONTAINING PHOSPHATE ESTER | DAIHACHI CHEMICAL INDUSTRY CO., LTD. (JP) | 2000-02-10 | — | — | WO | disclosed |