SCHEMBL502135

SCHEMBL502135

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.40
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 2/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
TET2 Q6N021 1/20 0.35
RECQL P46063 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HPGD P15428 1/20 0.33
CA12 O43570 2/20 0.31
CA14 Q9ULX7 2/20 0.31
CA2 P00918 1/20 0.31
KDM4E B2RXH2 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL23200424 0.84 ALDH1A1 (0.33) TSHRALDH1A1CYP3A4
SCHEMBL23200426 0.80
SCHEMBL9796930 0.80 HDAC3 (0.34) CA12CA14CA2
SCHEMBL4997539 0.79 TSHR (0.42) TSHRLMNAALDH1A1HSD17B10MGAM
SCHEMBL6585655 0.78 ALDH1A1 (0.34) ALDH1A1TET2
SCHEMBL8759255 0.78 GAA (0.44) LMNAALDH1A1HSD17B10MGAMGAA
SCHEMBL10957394 0.78 TSHR (0.37) TSHRLMNAALDH1A1HSD17B10MGAM
SCHEMBL10880317 0.78 TSHR (0.37) TSHRLMNAALDH1A1HSD17B10MGAM
SCHEMBL10818933 0.77 TSHR (0.46) TSHRALDH1A1HSD17B10GAAMEN1
SCHEMBL11067787 0.77 TSHR (0.36) TSHRLMNAALDH1A1HSD17B10MGAM

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 359 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117263799-A Production method of 3, 3-dimethyl-4-methyl pentenoate 南通天泽化工有限公司 2023-12-22 CN claimed
CN-116970160-A Unsaturated polyether ester monomer, polycarboxylate water reducer and preparation method thereof 辽宁奥克化学股份有限公司 2023-10-31 CN claimed
CN-116769098-A Functionalized particle collector, preparation method thereof and application thereof in micro-fine cassiterite flotation 中南大学 2023-09-19 CN claimed
CN-112028772-B Preparation method of 4,6, 6-trichloro-7, 7, 7-trifluoro-3, 3-dimethyl methyl heptanoate 江苏春江润田农化有限公司 2021-09-28 CN claimed
CN-109912386-A A kind of recoverable version time acid production method 江苏春江润田农化有限公司 2019-06-21 CN claimed
CN-106008210-B Using the method for loop reactor synthesis time acid 无锡青苹果工程勘察设计院 2019-05-07 CN claimed
CN-106518645-A Synthetic technology of high-cis-lambda-chrysanthemumic acid 江苏中能化学科技股份有限公司 2017-03-22 CN claimed
CN-106008210-A Method for synthesizing lambda cyhalthrin acid by using loop reactor 无锡青苹果工程勘察设计院 2016-10-12 CN claimed
CN-105541620-A Methyl 3,3-dimethyl-4-pentenoate production method SHAOXING MINGYE CHEMICAL FIBER CO LTD 2016-05-04 CN claimed
CN-105503582-A Continuous production method for trifluoro monochloro chrysanthemic acid LIANYUNGANG CCA CHEMICAL CO LTD 2016-04-20 CN claimed
CN-101434562-A Efficient cyhalothrin JIANGSU HUANGMA AGROCHEMICALS (CN) 2009-05-20 CN claimed
CN-100400496-C Method of preparing 3,3-dimethyl-4-pentenoic acid methyl ester with industrial scale ZIBO WANCHANG TECHNOLOGY DEV C (CN) 2008-07-09 CN claimed
CN-1907947-A Method of preparing 3,3-dimethyl-4-pentenoic acid methyl ester with industrial scale ZIBO WANCHANG TECHNOLOGY DEV C (CN) 2007-02-07 CN claimed
CN-1896044-A Penisopenteneester recovery method UNIV HUBEI POLYTECHNIC (CN) 2007-01-17 CN claimed
EP-0566643-B1 PROCESS FOR PREPARING HALOGENATED COMPOUNDS ZENECA LTD (GB) 1997-05-28 EP claimed
US-5391580-A Polymer layer directly attached to polypropylene tube and active heparin linked through covalent bond to the layer ANATRACE INC. (US) 1995-02-21 US claimed
US-5258547-A Process for preparing halogenated compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-11-02 US claimed
EP-0566643-A1 PROCESS FOR PREPARING HALOGENATED COMPOUNDS. ICI PLC (GB) 1993-10-27 EP claimed
WO-1992012115-A1 PROCESS FOR PREPARING HALOGENATED COMPOUNDS ZENECA LIMITED (GB) 1992-07-23 WO claimed
US-4233230-A Process for preparing olefins by metathesis of cyclic olefins with acyclic olefins RHONE-POULENC INDUSTRIES (FR) 1980-11-11 US claimed