SCHEMBL11299673

SCHEMBL11299673

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.46
CHRM1 P11229 1/20 0.46
TBXA2R P21731 1/20 0.46
ADRA1A P35348 1/20 0.46
TSHR P16473 4/20 0.44
CYP2C19 P33261 2/20 0.44
HIF1A Q16665 2/20 0.44
CYP2D6 P10635 1/20 0.44
TDP1 Q9NUW8 3/20 0.40
KDM4E B2RXH2 1/20 0.39
FFAR1 O14842 1/20 0.39
CPT2 P23786 1/20 0.39
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 1/20 0.33
FFAR3 O14843 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
SCHEMBL11297247 0.82 TSHR (0.42) HMGCRCHRM1TBXA2RADRA1ATSHR
SCHEMBL296994 0.80 TDP1 (0.40) TSHRTDP1ALDH1A1
SCHEMBL464959 0.80 HMGCR (0.46) HMGCRCHRM1TBXA2RADRA1ATSHR
SCHEMBL9240470 0.78 TET2 (0.50) HMGCRCHRM1TBXA2RADRA1ATSHR
Acetic Acid SCHEMBL25274821 0.76 HMGCR (0.42) HMGCRCHRM1TBXA2RADRA1ATSHR
Propionic Acid SCHEMBL28195291 0.76 FFAR3 (0.46) HMGCRCHRM1TBXA2RADRA1ATSHR
SCHEMBL11403557 0.76 NAALAD2 (0.41) HMGCRCHRM1TBXA2RADRA1ATSHR
SCHEMBL9241430 0.76 GRIK1 (0.34) TSHRTDP1
SCHEMBL11603821 0.75 CYP2D6 (0.36) HMGCRCHRM1TBXA2RADRA1ATSHR
SCHEMBL11299524 0.75 TSHR (0.35) TSHRTDP1ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107207783-A The composition and method of cross-linked polymer in the presence of aerial oxygen 阿科玛股份有限公司 2017-09-26 CN disclosed
CN-107207744-A Composition and method for crosslinking polymers in the presence of atmospheric oxygen 阿科玛股份有限公司 2017-09-26 CN disclosed
CN-105189619-B Method for crosslinking polymer compositions in the presence of atmospheric oxygen 阿科玛股份有限公司 2017-08-25 CN disclosed
CN-107001724-A Liquid and meltable solid grade scorch-protected peroxides 阿科玛股份有限公司 2017-08-01 CN disclosed
CN-107001685-A Composition and method for crosslinking polymers in the presence of atmospheric oxygen 阿科玛股份有限公司 2017-08-01 CN disclosed
US-4289914-A FREE RADICAL POLYMERIZATION INITIATORS, CURING AGENTS FOR UNSATURATED POLYESTERS PENNWALT CORPORATION (US) 1981-09-15 US disclosed
US-4257985-A Compounds by addition of hydroperoxides to α-β-unsaturated ketones PENNWALT CORPORATION (US) 1981-03-24 US disclosed
US-4115455-A FREE RADICAL CATALYSTS PENNWALT CORPORATION (US) 1978-09-19 US disclosed