SCHEMBL469841

SCHEMBL469841

CCc1cc(C)cc(CC)c1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.52
GABRB2 P47870 1/20 0.52
AMY1A P0DUB6 1/20 0.35
HSPA5 P11021 1/20 0.35
PGK1 P00558 1/20 0.34
PGK2 P07205 1/20 0.34
HIF1A Q16665 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 5/20 0.33
NOS3 P29474 2/20 0.33
NOS2 P35228 2/20 0.33
GRIN2D O15399 2/20 0.33
GRIN3B O60391 2/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2A Q12879 2/20 0.33
GRIN2B Q13224 2/20 0.33
GRIN2C Q14957 2/20 0.33

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
SCHEMBL2293898 0.91 GABRA1 (0.44) GABRA1GABRB2AMY1AHSPA5PGK1
SCHEMBL3593411 0.87 GABRA1 (0.41) GABRA1GABRB2AMY1AHSPA5HIF1A
SCHEMBL27777991 0.87 GABRA1 (0.41) GABRA1GABRB2
SCHEMBL21021410 0.84 GABRA1 (0.38) GABRA1GABRB2AMY1AHSPA5KMT2A
SCHEMBL17873619 0.80 GABRA1 (0.55) GABRA1GABRB2SMN1; SMN2ALDH1A1GRIN2D
SCHEMBL27777992 0.79 GABRA1 (0.34) GABRA1GABRB2ALOX15ALOX12
SCHEMBL1814268 0.79 KDM4E (0.44) GABRA1GABRB2ALDH1A1HPGDTSHR
SCHEMBL27971683 0.79 L3MBTL1 (0.37) GABRA1GABRB2HIF1AKMT2AALDH1A1
SCHEMBL456782 0.78 GABRA1 (0.52) GABRA1GABRB2HSPA5SMN1; SMN2KMT2A
SCHEMBL1262846 0.77 KMT2A (0.36) GABRA1GABRB2AMY1AHSPA5PGK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119661554-A Pinoxaden and its preparing process Process for the preparation of esters 蚌埠学院 2025-03-21 CN claimed
CN-114907181-B Device for sandmeyer reaction and method for continuously preparing 2, 6-diethyl-4-methyl bromobenzene 北京颖泰嘉和生物科技股份有限公司 2024-04-23 CN claimed
CN-114181112-B Preparation method of 2, 6-diethyl-4-methylphenyl malononitrile 浙江中山化工集团股份有限公司 2024-01-09 CN claimed
CN-117326976-A Synthesis method of 2, 6-diethyl-4-methylbenzene malononitrile 中国科学院大连化学物理研究所 2024-01-02 CN claimed
CN-116751106-A Refining method of 2, 6-diethyl-4-methyl bromobenzene 江苏省农用激素工程技术研究中心有限公司 2023-09-15 CN claimed
CN-116573986-A Synthesis method of 2, 6-diethyl-4-methyl bromobenzene 顺毅南通化工有限公司 2023-08-11 CN claimed
CN-116514837-A Method for synthesizing pinoxaden by one-pot method 江苏省农用激素工程技术研究中心有限公司 2023-08-01 CN claimed
CN-116283484-A Post-treatment method of pinoxaden intermediate 顺毅南通化工有限公司 2023-06-23 CN claimed
CN-114907181-A Device for sandmeyer reaction and method for continuously preparing 2, 6-diethyl-4-methyl bromobenzene 北京颖泰嘉和生物科技股份有限公司 2022-08-16 CN claimed
CN-110117216-B Continuous flow preparation method of 2, 6-diethyl-4-methyl bromobenzene 利尔化学股份有限公司 2022-08-05 CN claimed
CN-110156631-A A kind of continuous flow preparation method of 2,6- diethyl -4- methylaniline diazonium salt 利尔化学股份有限公司 2019-08-23 CN claimed
CN-110156560-A A method of preparing 2,6- diethyl -4- methyl bromobenzene 利尔化学股份有限公司 2019-08-23 CN claimed
CN-110117216-A A kind of continuous flow preparation method of 2,6- diethyl -4- methyl bromobenzene 利尔化学股份有限公司 2019-08-13 CN claimed
CN-109912457-A A kind of preparation method of 2,6- diethyl -4- aminomethyl phenyl malononitrile 浙江中山化工集团股份有限公司 2019-06-21 CN claimed
CN-109627184-A A kind of preparation method of 2,6- diethyl -4- aminomethyl phenyl malononitrile 浙江中山化工集团股份有限公司 2019-04-16 CN claimed
CN-109516894-A A kind of pesticide intermediate 2, the preparation method of 6- diethyl -4- methyl bromobenzene and the recovery method of useless hydrobromic acid 安徽省化工研究院 2019-03-26 CN claimed
CN-109320435-A The synthetic method of 2- (2,6- diethyl -4- methylbenzene) malononitrile 江苏富鼎化学有限公司 2019-02-12 CN claimed
CN-109096106-A A kind of preparation method of pinoxaden key intermediate 南京齐正化学有限公司 2018-12-28 CN claimed
CN-108864144-A A kind of synthetic method of pinoxaden 兰州精细化工高新技术开发公司 2018-11-23 CN claimed
CN-108271795-A A kind of herbicidal composition and preparation method thereof containing pinoxaden 安徽圣丰生化有限公司 2018-07-13 CN claimed