SCHEMBL28435149

SCHEMBL28435149

C#CCC(CCC(=O)O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 12/20 0.56
GRIK1 P39086 2/20 0.52
GRIK2 Q13002 2/20 0.52
GRM3 Q14832 2/20 0.48
NAALAD2 Q9Y3Q0 1/20 0.48
CYP2D6 P10635 1/20 0.47
NFKB1 P19838 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL379205 0.81 GRIK1 (0.64) FOLH1GRIK1GRIK2CYP2D6MAPT
SCHEMBL8847136 0.79 GRIK1 (0.44) FOLH1GRIK1GRIK2GRM3NAALAD2
SCHEMBL8847140 0.79 GRIK1 (0.44) FOLH1GRIK1GRIK2GRM3NAALAD2
SCHEMBL30800248 0.78 FOLH1 (0.56) FOLH1GRM3NAALAD2
SCHEMBL7557794 0.78 CHRM1 (0.62) GRIK1GRIK2NFKB1
SCHEMBL5053789 0.78 CHRM1 (0.62) GRIK1GRIK2NFKB1
SCHEMBL108166 0.78 FOLH1 (0.76) FOLH1GRM3NAALAD2
SCHEMBL8847127 0.77 GRIK1 (0.50) GRIK1GRIK2
SCHEMBL29060942 0.76 FOLH1 (0.73) FOLH1GRM3NAALAD2
SCHEMBL13726298 0.76 FOLH1 (0.73) FOLH1GRM3NAALAD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111108642-B Nonaqueous electrolyte, nonaqueous electrolyte secondary battery, and energy device 三菱化学株式会社 2024-04-02 CN disclosed
CN-117790904-A Nonaqueous electrolyte, nonaqueous electrolyte secondary battery, and energy device 三菱化学株式会社 2024-03-29 CN disclosed
CN-111108642-A Nonaqueous electrolyte, nonaqueous electrolyte secondary battery, and energy device 三菱化学株式会社 2020-05-05 CN disclosed