SCHEMBL631113

SCHEMBL631113

Cc1cccc(C(Cl)(Cl)Cl)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
CYP2A6 P11509 3/20 0.36
CYP1A2 P05177 3/20 0.36
TRPA1 O75762 2/20 0.36
ATM Q13315 1/20 0.36
GAA P10253 1/20 0.35
TSHR P16473 4/20 0.35
ACHE P22303 1/20 0.35
ALDH1A1 P00352 3/20 0.35
CA2 P00918 2/20 0.35
CA1 P00915 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 1/20 0.34
CYP3A4 P08684 3/20 0.33
P2RX7 Q99572 1/20 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
SCHEMBL28985428 0.84 GABRA1 (0.43) GABRA1GABRB2CYP2A6CYP1A2TRPA1
SCHEMBL11549028 0.82 TSHR (0.40) CYP2A6CYP1A2TSHRALDH1A1CA2
SCHEMBL9626847 0.81 GABRA1 (0.56) GABRA1GABRB2CYP2A6CYP1A2TRPA1
SCHEMBL1862437 0.79 P2RX7 (0.53) GABRA1GABRB2PDK1PDK2PDK3
SCHEMBL8679449 0.78 CYP3A4 (0.39) TSHRCYP3A4MAPK1TDP1
SCHEMBL27417839 0.77 GABRA1 (0.42) GABRA1GABRB2CYP2A6CYP1A2TRPA1
SCHEMBL16579370 0.77 GABRA1 (0.42) GABRA1GABRB2CYP2A6CYP1A2TRPA1
SCHEMBL30017539 0.77 GABRA1 (0.42) GABRA1GABRB2CYP2A6CYP1A2TRPA1
SCHEMBL2262591 0.77 TSHR (0.46) CYP2A6CYP1A2TSHRALDH1A1CYP3A4
SCHEMBL8947032 0.77 TSHR (0.47) GABRA1GABRB2CYP2A6CYP1A2TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119901849-B Method for rapidly and accurately measuring content of organochlorine pesticide in water 四川省生态环境监测总站 2025-06-24 CN claimed
CN-119901849-A Method for rapidly and accurately measuring content of organochlorine pesticide in water 四川省生态环境监测总站 2025-04-29 CN claimed
CN-113702518-A Monitoring method for atmospheric settlement of persistent organic pollutants POPs 河北省地质实验测试中心(国土资源部保定矿产资源监督检测中心、河北省金银宝玉饰品质量监督检验站) 2021-11-26 CN claimed
CN-112964821-A Method for simultaneously detecting multiple organic pollutants in water body by gas chromatography-mass spectrometry 厦门泓益检测有限公司 2021-06-15 CN claimed
CN-111665300-A Method for simultaneously measuring polycyclic aromatic hydrocarbon and polychlorinated biphenyl in soil 国网河北省电力有限公司电力科学研究院 2020-09-15 CN claimed
CN-111024830-A Method for detecting organochlorine carrier in dye 江苏德旺化工工业有限公司 2020-04-17 CN claimed
EP-0563033-A4 PROCESS FOR PREPARING 3-TRIFLUOROMETHYL BENZYL CHLORIDE CHEVRON RES & TECH (US) 1994-05-18 EP claimed
EP-0563033-A1 PROCESS FOR PREPARING 3-TRIFLUOROMETHYL BENZYL CHLORIDE. CHEVRON RES & TECH (US) 1993-10-06 EP claimed
CN-119901849-B Method for rapidly and accurately measuring content of organochlorine pesticide in water 四川省生态环境监测总站 2025-06-24 CN disclosed
CN-119901849-A Method for rapidly and accurately measuring content of organochlorine pesticide in water 四川省生态环境监测总站 2025-04-29 CN disclosed
WO-2023187264-A1 CONTINUOUS PREPARATION OF A POLYETHER COMPOUND COATEX (FR) 2023-10-05 WO disclosed
CN-113702518-A Monitoring method for atmospheric settlement of persistent organic pollutants POPs 河北省地质实验测试中心(国土资源部保定矿产资源监督检测中心、河北省金银宝玉饰品质量监督检验站) 2021-11-26 CN disclosed
CN-112964821-A Method for simultaneously detecting multiple organic pollutants in water body by gas chromatography-mass spectrometry 厦门泓益检测有限公司 2021-06-15 CN disclosed
CN-112067730-A Method for detecting polybrominated diphenyl ethers in deposition column core 合肥学院 2020-12-11 CN disclosed
CN-1790772-A Patterned substrate, electro-optical device, and method for manufacturing an electro-optical device SEIKO EPSON CORP (JP) 2006-06-21 CN disclosed
CN-1257888-C Method for synthesizing m-trifluoromethyl benzyl cyanide SHANGHAI NO 4 REAGENT AND HV C (CN) 2006-05-31 CN disclosed
CN-1660789-A Method for synthesizing m-trifluoromethyl benzyl cyanide SHISIHEWEI CHEMICAL CO LTD SHA (CN) 2005-08-31 CN disclosed
WO-2000071495-A1 CHLORINATING SIDE CHAINS OF AROMATIC COMPOUNDS OCCIDENTAL CHEMICAL CORPORATION (US) 2000-11-30 WO disclosed
US-4141912-A Process for the preparation of polyhalobenzylic disulfooxonium compounds HOOKER CHEMICALS & PLASTICS CORP. (US) 1979-02-27 US disclosed
US-4075238-A Polyhalobenzylic disulfooxonium compounds HOOKER CHEMICALS & PLASTICS CORPORATION (US) 1978-02-21 US disclosed