SCHEMBL28038229

SCHEMBL28038229

CC(=O)OC(C)(C)C.CCC1CCOC(C)(C)O1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.33
CA2 P00918 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL28478261 0.88 HCRTR2 (0.33) HCRTR2CA2
SCHEMBL28284532 0.88 HCRTR2 (0.33) HCRTR2CA2
SCHEMBL29286731 0.87 HCRTR2 (0.32) HCRTR2CA2
SCHEMBL27833576 0.85 HCRTR2 (0.33) HCRTR2CA2
SCHEMBL1067073 0.81 MIF (0.34) HCRTR2CA2
SCHEMBL13293712 0.80 CA2 (0.34) CA2
SCHEMBL28638475 0.80 HCRTR2 (0.32) HCRTR2
SCHEMBL28145038 0.75 USP2 (0.37) HCRTR2
SCHEMBL28517071 0.74 HCRTR2 (0.32) HCRTR2
SCHEMBL28215932 0.74 HCRTR2 (0.32) HCRTR2

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105136921-B Method for measuring content of (4R,6R) -6-aminoethyl-2, 2-dimethyl-1, 3-dioxane-4-tert-butyl acetate 河南师范大学 2017-01-25 CN claimed
CN-105136921-A Method for measuring content of (4R,6R) -6-aminoethyl-2, 2-dimethyl-1, 3-dioxane-4-tert-butyl acetate UNIV HENAN NORMAL 2015-12-09 CN claimed
CN-109142586-A A kind of method of liquid chromatography for measuring Atorvastatin calcium intermediate A TS-9 and its impurity B content 河南师范大学 2019-01-04 CN disclosed
CN-105136921-B Method for measuring content of (4R,6R) -6-aminoethyl-2, 2-dimethyl-1, 3-dioxane-4-tert-butyl acetate 河南师范大学 2017-01-25 CN disclosed
CN-105136921-A Method for measuring content of (4R,6R) -6-aminoethyl-2, 2-dimethyl-1, 3-dioxane-4-tert-butyl acetate UNIV HENAN NORMAL 2015-12-09 CN disclosed