SCHEMBL25288451

SCHEMBL25288451

O=C(O)CC(F)(F)C(=O)OC(=O)C(F)(F)CC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACLY P53396 2/20 0.39
ALDH1A1 P00352 1/20 0.36
HMGCR P04035 1/20 0.36
CHRM1 P11229 1/20 0.36
TBXA2R P21731 1/20 0.36
ADRA1A P35348 1/20 0.36
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
FFAR3 O14843 1/20 0.32
KDM4E B2RXH2 1/20 0.31
FFAR1 O14842 1/20 0.31
CPT2 P23786 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL28235073 0.82 ACLY (0.38) ACLYALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL2647027 0.80 HMGCR (0.39) ACLYALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL10891188 0.77 POLB (0.42) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL6283780 0.75 LMNA (0.36) ALDH1A1TSHRFFAR3
SCHEMBL25288846 0.75 ACLY (0.37) ACLYALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL25240661 0.75 ACLY (0.41) ACLYALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL2069147 0.75 ACLY (0.50) ACLYALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL22659577 0.73 ACLY (0.50) ACLYALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL775946 0.72
SCHEMBL28471080 0.72 ACLY (0.48) ACLYALDH1A1HMGCRCHRM1TBXA2R

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
WO-2023113253-A1 ELECTROLYTE FOR LITHIUM SECONDARY BATTERY AND LITHIUM SECONDARY BATTERY COMPRISING SAME 충남대학교 산학협력단 2023-06-22 WO disclosed