SCHEMBL6547028

SCHEMBL6547028

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

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.60
CYP2C19 P33261 2/20 0.60
HIF1A Q16665 2/20 0.60
CYP2D6 P10635 1/20 0.60
HMGCR P04035 1/20 0.55
CHRM1 P11229 1/20 0.55
TBXA2R P21731 1/20 0.55
ADRA1A P35348 1/20 0.55
ALDH1A1 P00352 2/20 0.48
CPT2 P23786 2/20 0.46
KDM4E B2RXH2 1/20 0.46
FFAR1 O14842 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ACLY P53396 3/20 0.39
TET2 Q6N021 1/20 0.37
FFAR3 O14843 1/20 0.37

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
SCHEMBL6412305 0.89 CYP2C19 (0.50) TSHRCYP2C19HIF1ACYP2D6HMGCR
SCHEMBL11289286 0.86 CYP2C19 (0.52) TSHRCYP2C19HIF1ACYP2D6HMGCR
SCHEMBL28432137 0.84 CYP2C19 (0.50) TSHRCYP2C19HIF1ACYP2D6HMGCR
SCHEMBL28439076 0.80 TSHR (0.46) TSHRCYP2C19HIF1ACYP2D6HMGCR
SCHEMBL28306696 0.78 CYP2C19 (0.44) TSHRCYP2C19HIF1ACYP2D6HMGCR
SCHEMBL28243170 0.78 CYP2C19 (0.44) TSHRCYP2C19HIF1ACYP2D6HMGCR
SCHEMBL27770098 0.77 TSHR (0.42) TSHRCYP2C19HIF1ACYP2D6HMGCR
Hydrochloric Acid SCHEMBL4137653 0.75 TSHR (0.60) TSHRCYP2C19HIF1ACYP2D6HMGCR
SCHEMBL503703 0.75 TSHR (1.00) TSHRCYP2C19HIF1ACYP2D6HMGCR
SCHEMBL16249744 0.75 TSHR (0.60) TSHRCYP2C19HIF1ACYP2D6HMGCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117510985-A Halogen-free flame retardant and flame-retardant polymer material 江苏利思德新材料股份有限公司 2024-02-06 CN disclosed
CN-115175783-A Flux and solder paste 千住金属工业株式会社 2022-10-11 CN disclosed
CN-115103736-A Flux and solder paste 千住金属工业株式会社 2022-09-23 CN disclosed
CN-107223146-B Water-dispersible polyamide structural units 路博润先进材料公司 2020-08-07 CN disclosed
EP-1119601-B1 LIQUID DETERGENT KAO CORP (JP) 2004-01-28 EP disclosed
US-6387867-B1 REMOVING OILS; COSMETIC CLEANING COMPOUND KAO CORPORATION (JP) 2002-05-14 US disclosed
EP-1119601-A1 LIQUID DETERGENT Kao Corporation (JP) 2001-08-01 EP disclosed
WO-2001010990-A1 LIQUID DETERGENT KAO CORPORATION (JP) 2001-02-15 WO disclosed
EP-0670364-B1 LIQUID BLEACH COMPOSITION KAO CORP (JP) 1998-04-22 EP disclosed
US-5240629-A REFRIGERANT COMPOSITIONS ETHYL CORPORATION (US) 1993-08-31 US disclosed