⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12445884 | 0.82 | — | — | |
| SCHEMBL8604797 | 0.82 | — | — | |
| SCHEMBL10314783 | 0.78 | — | — | |
| SCHEMBL20694099 | 0.78 | — | — | |
| SCHEMBL13799410 | 0.78 | — | — | |
| SCHEMBL24649615 | 0.78 | — | — | |
| SCHEMBL4394617 | 0.78 | — | — | |
| SCHEMBL19924461 | 0.69 | L3MBTL1 (0.38) | — | |
| SCHEMBL11358986 | 0.69 | CYP2C9 (0.30) | — | |
| SCHEMBL18534228 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1200915-C | Process for preparing organic compound | MITSUI CHEMICALS INC (JP) | 2005-05-11 | — | — | CN | disclosed |
| 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 |
| CN-1235141-A | Process for preparing organic compound | MITSUI CHEMICALS INC (JP) | 1999-11-17 | — | — | CN | 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 |