SCHEMBL28489478

SCHEMBL28489478

O=C(O)CC(C(=O)O)(S(=O)(=O)O)S(=O)(=O)O.[MgH2]

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HMGCR P04035 1/20 0.35
CHRM1 P11229 1/20 0.35
TBXA2R P21731 1/20 0.35
ADRA1A P35348 1/20 0.35
ACLY P53396 3/20 0.33
CPT2 P23786 2/20 0.32
POLB P06746 1/20 0.32
KDM4E B2RXH2 1/20 0.30
FFAR1 O14842 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL1129741 0.97 ALDH1A1 (0.42) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL2521500 0.95 ALDH1A1 (0.40) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
Ammonia Solution, Strong SCHEMBL11776041 0.95 ALDH1A1 (0.40) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL10887081 0.84 ALDH1A1 (0.36) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL6634867 0.72 ALDH1A1 (0.40) ALDH1A1L3MBTL1
SCHEMBL6561842 0.72 ALDH1A1 (0.42) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL6570219 0.70 ALDH1A1 (0.46) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
Citric Acid SCHEMBL6571073 0.70 ALDH1A1 (0.75) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL18798923 0.70 ACLY (0.38) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL17760613 0.70 LMNA (0.42) ALDH1A1CYP2D6TSHRL3MBTL1ADRA1A

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-112038110-B Ultra-high strength thermoreversible hydrogel electrolyte and preparation method thereof 吉林大学 2021-05-28 CN disclosed
CN-112038110-A Ultra-high strength thermoreversible hydrogel electrolyte and preparation method thereof 吉林大学 2020-12-04 CN disclosed