SCHEMBL28056100

SCHEMBL28056100

COC(C)CC(=O)OC(=O)CC(C)OC

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
TSHR P16473 3/20 0.33
TDP1 Q9NUW8 1/20 0.32
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 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
SCHEMBL27732372 0.88 TSHR (0.39) ALDH1A1TSHRTDP1HSD17B10MGAM
SCHEMBL1965682 0.84
SCHEMBL7054842 0.80
SCHEMBL24242166 0.80 LMNA (0.42) ALDH1A1TSHRMMP1MMP2MMP3
SCHEMBL14790423 0.78 MGAM (0.48) ALDH1A1TSHRTDP1HSD17B10MGAM
SCHEMBL5692410 0.78 MGAM (0.48) ALDH1A1TSHRTDP1HSD17B10MGAM
SCHEMBL28978748 0.78 ALDH1A1 (0.35) ALDH1A1TSHRTDP1
SCHEMBL10625547 0.77
SCHEMBL14196343 0.77 TSHR (0.39) TSHRMMP1MMP2MMP3MMP9
SCHEMBL6007719 0.77 PRKCA (0.31)

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-110495041-A Electrolyte, electrochemical device, lithium ion secondary battery and component DAIKIN IND LTD 2019-11-22 CN disclosed
CN-110495042-A Electrolyte solution for lithium ion secondary battery, lithium ion secondary battery and component DAIKIN IND LTD 2019-11-22 CN disclosed
CN-110326150-A Nonaqueous electrolyte solution and electricity storage device 三菱化学株式会社 2019-10-11 CN disclosed
CN-104067433-B Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same 三菱化学株式会社 2016-09-14 CN disclosed
CN-103259044-B Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEMICAL CORP. (JP) 2016-02-10 CN disclosed