⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1585397 | 1.00 | — | — | |
| SCHEMBL2982775 | 1.00 | — | — | |
| SCHEMBL27212240 | 0.87 | MAPT (0.34) | — | |
| SCHEMBL26010979 | 0.84 | MEN1 (0.33) | — | |
| SCHEMBL4576834 | 0.84 | CYP19A1 (0.40) | — | |
| SCHEMBL241530 | 0.84 | FAAH (0.43) | — | |
| SCHEMBL645070 | 0.84 | CA12 (0.45) | — | |
| Tetrahydrofuran SCHEMBL28992187 | 0.84 | EPHX2 (0.36) | — | |
| SCHEMBL11783608 | 0.82 | — | — | |
| SCHEMBL6797456 | 0.82 | CYP19A1 (0.47) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080214663-A1 | Levodopa dimethyl-substituted diester prodrugs compositions, and methods of use | XENOPORT, INC. | 2008-09-04 | — | — | US | claimed |
| US-20150203884-A1 | METHODS AND MATERIALS FOR MAKING SIMVASTATIN AND RELATED COMPOUNDS | INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT | 2015-07-23 | — | — | US | disclosed |
| US-8324273-B2 | Catechol protected levodopa diester prodrugs, compositions, and methods of use | XENOPORT, INC. (US) | 2012-12-04 | — | — | US | disclosed |
| US-8324272-B2 | Levodopa dimethyl-substituted diester prodrugs, compositions, and methods of use | XENOPORT, INC. (US) | 2012-12-04 | — | — | US | disclosed |
| US-20100173992-A1 | LEVODOPA DIMETHYL-SUBSTITUTED DIESTER PRODRUGS, COMPOSITIONS, AND METHODS OF USE | XENOPORT, INC. (US) | 2010-07-08 | — | — | US | disclosed |
| US-7709527-B2 | 2-acetyloxy-1-methylpropyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate; Parkinson's disease; crystalline forms; improved pharmacokinetics; oral administration | XENOPORT, INC. (US) | 2010-05-04 | — | — | US | disclosed |
| US-20080214663-A1 | Levodopa dimethyl-substituted diester prodrugs compositions, and methods of use | XENOPORT, INC. | 2008-09-04 | — | — | US | disclosed |
| US-20080171789-A1 | Catechol protected levodopa diester prodrugs, compositions, and methods of use | XENOPORT, INC. | 2008-07-17 | — | — | US | disclosed |
| WO-2008079387-A1 | CATECHOL PROTECTED LEVODOPA DIESTER PRODRUGS, COMPOSITIONS, AND METHODS OF USE | XENOPORT, INC. (US) | 2008-07-03 | — | — | WO | disclosed |