SCHEMBL30747201

SCHEMBL30747201

CCOC(=O)OCC(F)F.O=C(OCC(F)F)OCC(F)F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
SOAT1 P35610 1/20 0.50
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALOX15 P16050 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
TRPA1 O75762 1/20 0.36
TSHR P16473 2/20 0.32
MAPT P10636 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 1/20 0.31
PKM P14618 1/20 0.31
CYP2D6 P10635 1/20 0.31
POLB P06746 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL575131 1.00 ALDH1A1 (0.62) ALDH1A1SOAT1LMNAHSD17B10ALOX15
Bicarbonate SCHEMBL14972904 0.96 ALDH1A1 (0.56) ALDH1A1SOAT1LMNAHSD17B10ALOX15
SCHEMBL18628630 0.88 ALDH1A1 (0.48) ALDH1A1SOAT1LMNAHSD17B10ALOX15
SCHEMBL320430 0.87 ALDH1A1 (0.38) ALDH1A1
SCHEMBL15740067 0.86 ALDH1A1 (0.50) ALDH1A1SOAT1LMNAHSD17B10ALOX15
SCHEMBL26696455 0.84 ALDH1A1 (0.59) ALDH1A1SOAT1LMNAHSD17B10ALOX15
SCHEMBL29049032 0.83 ALDH1A1 (0.38) ALDH1A1TSHRSMN1; SMN2
SCHEMBL18628653 0.82 ALDH1A1 (0.42) ALDH1A1SOAT1MGAMGAASI
SCHEMBL2031217 0.82 ALDH1A1 (0.39) ALDH1A1SOAT1LMNAHSD17B10TSHR
SCHEMBL18628625 0.81 ALDH1A1 (0.41) ALDH1A1SOAT1MGAMGAASI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117466861-A Electrolyte functional auxiliary agent composition, electrolyte using same and lithium battery 湖北亿纬动力有限公司 2024-01-30 CN claimed