SCHEMBL30219784

SCHEMBL30219784

CC(C)(CC(CCC(=O)O)C(=O)O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 15/20 0.52
GRM3 Q14832 2/20 0.46
NAALAD2 Q9Y3Q0 1/20 0.46
CYP1A2 P05177 1/20 0.43

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
SCHEMBL11862649 0.83 FOLH1 (0.39) FOLH1GRM3NAALAD2CYP1A2
SCHEMBL10454283 0.82 FOLH1 (0.54) FOLH1GRM3NAALAD2CYP1A2
SCHEMBL7941425 0.79 FOLH1 (0.56) FOLH1GRM3NAALAD2
SCHEMBL23784684 0.78 GABRP (0.45) FOLH1GRM3NAALAD2CYP1A2
SCHEMBL10830603 0.77 CA2 (0.50)
SCHEMBL9705724 0.75 FOLH1 (0.56) FOLH1GRM3NAALAD2
SCHEMBL4672559 0.75 FOLH1 (0.55) FOLH1CYP1A2
SCHEMBL108166 0.75 FOLH1 (0.76) FOLH1GRM3NAALAD2
SCHEMBL7932889 0.74 FOLH1 (0.50) FOLH1GRM3NAALAD2
SCHEMBL7941504 0.74 FOLH1 (0.50) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230039150-A1 AQUEOUS INK, INK CARTRIDGE AND INK JET RECORDING METHOD CANON KABUSHIKI KAISHA (JP) 2023-02-09 US disclosed