⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10477425 | 0.92 | — | — | |
| SCHEMBL17347028 | 0.79 | — | — | |
| SCHEMBL16556929 | 0.79 | — | — | |
| SCHEMBL13352433 | 0.73 | — | — | |
| SCHEMBL15049 | 0.71 | — | — | |
| SCHEMBL1977351 | 0.71 | — | — | |
| SCHEMBL8613971 | 0.71 | ALDH1A1 (0.54) | — | |
| SCHEMBL157380 | 0.71 | ALDH1A1 (0.54) | — | |
| SCHEMBL2508249 | 0.71 | ALDH1A1 (0.54) | — | |
| Hydrochloric Acid SCHEMBL2036527 | 0.67 | ALDH1A1 (0.50) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |