SCHEMBL5712913

SCHEMBL5712913

CC(=O)Oc1ccc(Cl)cc1C.[NaH]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.54
HTR2A P28223 1/20 0.54
HTR2C P28335 1/20 0.54
HTR2B P41595 1/20 0.54
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
HIF1A Q16665 1/20 0.51
MAPT P10636 3/20 0.49
KDM4E B2RXH2 3/20 0.48
TP53 P04637 1/20 0.48
ALOX15 P16050 1/20 0.48
ALDH1A1 P00352 2/20 0.47
ABCB11 O95342 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
LMNA P02545 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 3/20 0.46
GAA P10253 2/20 0.46
NPC1 O15118 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL132336 0.98 TSHR (0.56) TSHRHTR2AHTR2CHTR2BCYP1A2
SCHEMBL13342741 0.83 KDM4E (0.60) TSHRHTR2AHTR2CHTR2BCYP1A2
SCHEMBL6273604 0.83 TSHR (0.60) TSHRHTR2AHTR2CHTR2BCYP1A2
SCHEMBL11716516 0.83 TSHR (0.56) TSHRHTR2AHTR2CHTR2BCYP1A2
SCHEMBL3962126 0.83 KMT2A (0.55) TSHRMAPTKDM4EALDH1A1ABCB11
SCHEMBL6869400 0.83 ACHE (0.59) TSHRHTR2AHTR2CHTR2BCYP1A2
SCHEMBL11338058 0.82 KDM4E (0.58) TSHRMAPTKDM4ETP53ALDH1A1
Hydrochloric Acid SCHEMBL11854026 0.81 TSHR (0.58) TSHRHTR2AHTR2CHTR2BCYP1A2
SCHEMBL134715 0.81 KMT2A (0.57) TSHRMAPTKDM4EALDH1A1ABCB11
SCHEMBL27934248 0.81 CYP1A2 (0.55) TSHRHTR2AHTR2CHTR2BCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-217699193-U A reation kettle for preparation of 2 first 4 chlorine sodium 安徽兴隆化工有限公司 2022-11-01 CN claimed
CN-113173844-A Preparation method of 2-methyl-4-chlorophenoxyacetic acid 宁夏格瑞精细化工有限公司 2021-07-27 CN claimed
CN-118311164-A Method for simultaneously detecting contents of 4-chloro-2-methylphenol and o-phenol 湖北泰盛化工有限公司 2024-07-09 CN disclosed
CN-113173844-B Preparation method of 2-methyl-4-chlorophenoxyacetic acid 宁夏格瑞精细化工有限公司 2023-04-14 CN disclosed
CN-113173844-B Preparation method of 2-methyl-4-chlorophenoxyacetic acid 宁夏格瑞精细化工有限公司 2023-04-14 CN disclosed
CN-115286499-A Production process of 4-chloro-2-methylphenoxyacetic acid 安徽兴隆化工有限公司 2022-11-04 CN disclosed
CN-217699193-U A reation kettle for preparation of 2 first 4 chlorine sodium 安徽兴隆化工有限公司 2022-11-01 CN disclosed
CN-114870751-A Continuous preparation system and method of o-methyl sodium phenoxyacetate 山东潍坊润丰化工股份有限公司 2022-08-09 CN disclosed
CN-113248370-B Preparation method of o-methyl sodium phenoxyacetate in synthesis process of 2-methyl-4-sodium phenoxyacetate 江苏健谷化工有限公司 2022-06-17 CN disclosed
CN-110028399-B Preparation method of 2-methyl-4-chlorophenoxyacetic acid 江西天宇化工有限公司 2021-12-31 CN disclosed
CN-107897191-B Weeding composition containing topramezone and application thereof 青岛清原化合物有限公司 2021-11-30 CN disclosed
CN-104542668-A Pesticide composition containing nicosulfuron, sodium 2-methyl-4-chlorophenoxy acetate and cyclopropanesulfonyl amide QINGDAO JINER AGROCHEMICALS R & D CO LTD 2015-04-29 CN disclosed
CN-101500410-A Granular controlled release agrochemical compositions and process for preparing same OMS INVEST INC (US) 2009-08-05 CN disclosed
CN-100444729-C Aqueous Pesticide Suspension Composition KUMIAI CHEMICAL INDUSTRY CO (JP) 2008-12-24 CN disclosed
WO-2006112533-A1 WATER-CONTAINING GEL FORM AND PRODUCTION METHOD THEREOF SHOWA DENKO K.K. (JP) 2006-10-26 WO disclosed
CN-1774172-A Aqueous agricultural-chemical suspension composition KUMIAI CHEMICAL INDUSTRY CO (JP) 2006-05-17 CN disclosed
CN-1244344-A Novel weed control agent JINHE DU (CN) 2000-02-16 CN disclosed
US-4753671-A CONTROLLING BROAD LEAF WEEDS; NONPHYTOTOXIC TO RICE CROPS TOYO SODA MFG. CO. (JP) 1988-06-28 US disclosed
CN-86107220-A Δ 2-1, the preparation method and the application method thereof of 2,4 triazolines-5-ketone derivatives 1987-09-30 CN disclosed
CN-85104158-A Δ 2-1,2,4-triazoline-5-ketone derivatives and the weed killer herbicide that contains this derivative 1986-09-03 CN disclosed