SCHEMBL28066085

SCHEMBL28066085

C=CC1COC(C=O)OC1c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
CHRM2 P08172 3/20 0.32
CHRM4 P08173 3/20 0.32
CHRM5 P08912 3/20 0.32
CHRM1 P11229 3/20 0.32
CHRM3 P20309 3/20 0.32
EPHX1 P07099 3/20 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
SCHEMBL28066172 0.79 TSHR (0.39) TSHRCHRM2CHRM4CHRM5CHRM1
SCHEMBL27716177 0.75 TSHR (0.52) TSHRCHRM2CHRM4CHRM5CHRM1
SCHEMBL27692138 0.73 EPHX1 (0.33) EPHX1
SCHEMBL28181121 0.73 EPHX1 (0.41) TSHREPHX1
SCHEMBL28148902 0.71 TSHR (0.45) TSHR
SCHEMBL28066075 0.71 TDP1 (0.31)
SCHEMBL28066073 0.69 TDP1 (0.30)
SCHEMBL7549855 0.68 TSHR (0.42) TSHRCHRM2CHRM4CHRM5CHRM1
SCHEMBL17923977 0.68 CYP19A1 (0.35) TSHR
SCHEMBL27384719 0.67 TSHR (0.50) TSHRCHRM2CHRM4CHRM1CHRM3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105580189-B Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same 三菱化学株式会社 2017-09-22 CN disclosed
CN-105580189-A Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same MITSUBISHI CHEM CORP 2016-05-11 CN disclosed