⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18053254 | 0.89 | — | — | |
| SCHEMBL15870610 | 0.75 | — | — | |
| SCHEMBL15870609 | 0.75 | — | — | |
| SCHEMBL5987418 | 0.75 | — | — | |
| SCHEMBL7103059 | 0.75 | — | — | |
| SCHEMBL7103063 | 0.75 | — | — | |
| SCHEMBL19457054 | 0.69 | — | — | |
| SCHEMBL16215027 | 0.67 | — | — | |
| SCHEMBL4150318 | 0.67 | — | — | |
| SCHEMBL26230539 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0950649-B1 | A process for preparing oxyalkylene derivatives in the presence of phosphine oxides | MITSUI CHEMICALS INC (JP) | 2003-03-26 | — | — | EP | disclosed |
| US-6130346-A | ESTERIFICATION, CARBONATION, SULFONATION, ETHERIFICATION | MITSUI CHEMICALS, INC. (JP) | 2000-10-10 | — | — | US | disclosed |
| EP-0950649-A1 | A process for preparing oxyalkylene derivatives in the presence of phosphine oxides | Mitsui Chemicals, Inc. (JP) | 1999-10-20 | — | — | EP | disclosed |