SCHEMBL28992500

SCHEMBL28992500

CCOC(=O)CC(C)C(F)(F)F.COC(=O)C(F)(F)C(F)F

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.36
MGAM O43451 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
ALDH1A1 P00352 3/20 0.33
CYP3A4 P08684 2/20 0.33
ALOX15 P16050 2/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HSD17B10 Q99714 2/20 0.33
CHRM1 P11229 1/20 0.33
ADORA1 P30542 1/20 0.33
MMP8 P22894 1/20 0.32
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
POLB P06746 1/20 0.31
TRPA1 O75762 1/20 0.31
CTRB1 P17538 1/20 0.30

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
SCHEMBL1904864 0.84 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL197988 0.84 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL1237869 0.84 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL29074325 0.80 MGAM (0.34) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL898549 0.75 PKM (0.40) GAAALDH1A1CTRB1
SCHEMBL1682735 0.73 CYP4F2 (0.41) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL6342061 0.73 TSHR (0.40) GAAMGAMSIMGAM2ALDH1A1
Methyl Alcohol SCHEMBL28769040 0.73 PKM (0.39) ALDH1A1CTRB1
SCHEMBL17266817 0.72 GAA (0.43) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL898175 0.71 GAA (0.52) GAAMGAMSIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111628217-B Electrolyte for lithium ion secondary battery, and assembly 丰田自动车株式会社 2023-12-15 CN disclosed
CN-116848080-A Compound, composition, electrochemical device, lithium ion secondary battery, and assembly 大金工业株式会社 2023-10-03 CN disclosed
CN-111316492-B Electrolyte, electrochemical device, lithium ion secondary battery, and assembly 大金工业株式会社 2023-06-06 CN disclosed
CN-116057036-A Fluorine-containing carboxylate compound 大金工业株式会社 2023-05-02 CN disclosed