2,2',4,4',5,5'-Hexachlorobiphenyl

2,2',4,4',5,5'-Hexachlorobiphenyl

SCHEMBL258301

Clc1cc(Cl)c(-c2cc(Cl)c(Cl)cc2Cl)cc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AHR P35869 7/20 1.00
MAPK1 P28482 1/20 1.00
TSHR P16473 4/20 0.44
HSD17B10 Q99714 3/20 0.44
HPGD P15428 2/20 0.44
CYP3A4 P08684 2/20 0.44
FLT1 P17948 1/20 0.39
CASP1 P29466 1/20 0.37
TP53 P04637 1/20 0.37
CES1 P23141 1/20 0.36
GAA P10253 1/20 0.33
ALDH1A1 P00352 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
2,2',4,4',5,5'-Hexachlorobiphenyl SCHEMBL29367365 1.00 AHR (1.00) AHRMAPK1TSHRHSD17B10HPGD
SCHEMBL4452334 0.82 AHR (0.67) AHRMAPK1TSHRHSD17B10HPGD
SCHEMBL9732416 0.82 AHR (0.67) AHRMAPK1TSHRHSD17B10HPGD
SCHEMBL29366112 0.82 AHR (0.67) AHRMAPK1TSHRHSD17B10HPGD
SCHEMBL6861156 0.82 HSD17B10 (0.78) AHRMAPK1TSHRHSD17B10HPGD
SCHEMBL9731778 0.82 HSD17B10 (0.68) AHRMAPK1TSHRHSD17B10HPGD
SCHEMBL7085831 0.82 AHR (0.67) AHRMAPK1TSHRHSD17B10HPGD
SCHEMBL348913 0.82 AHR (0.67) AHRMAPK1TSHRHSD17B10HPGD
Polychlorinated Biphenyl 99 SCHEMBL4446838 0.80 AHR (0.63) AHRMAPK1TSHRHSD17B10CYP3A4
SCHEMBL811509 0.80 AHR (0.63) AHRMAPK1TSHRHSD17B10CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119361834-A Electrolyte and battery and electricity utilization device containing same 浙江大学 2025-01-24 CN claimed
WO-2023152637-A1 NEUTRALIZATION OF ACYL-COA BINDING PROTEIN CONFERS AUTOPHAGY-DEPENDENT ORGAN PROTECTION INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2023-08-17 WO claimed
CN-114814013-B Method for rapidly screening unknown chemical hazard residues in aquatic products based on high-resolution mass spectrum database 中国海洋大学 2023-06-02 CN claimed
CN-111308003-B Method for simultaneously detecting diisopropylnaphthalenes, polychlorinated biphenyls, phthalate compounds and photoinitiator 福建中烟工业有限责任公司 2022-11-08 CN claimed
CN-115248258-A Preparation and detection method of to-be-detected sample of polychlorinated biphenyl in packaging material 湖南中烟工业有限责任公司 2022-10-28 CN claimed
CN-111665313-B Method for determining polychlorinated biphenyl compounds in aquatic products 孟祥龙 2022-10-11 CN claimed
CN-114196618-A Exposure system of organic flame retardant to human respiratory tract cells and preparation method and application thereof 广东工业大学 2022-03-18 CN claimed
CN-109762776-B Microbial agent for improving soil quality, preparation method and application 中国环境科学研究院 2022-02-01 CN claimed
CN-109868243-B Microbial agent for accelerating soil organic matter pollution remediation, preparation method and application thereof 中国环境科学研究院 2022-02-01 CN claimed
CN-113945650-A Method for simultaneously analyzing persistent organic pollutants in grains 国家粮食和物资储备局科学研究院 2022-01-18 CN claimed
US-8092813-B1 Polychlorinated biphenyls and squalene-containing adjuvants NOVARTIS AG (CH) 2012-01-10 US claimed
US-20060281961-A1 Functional transition metal silicates KANUMURU RAHUL RAJU (IN) 2006-12-14 US claimed
EP-1587606-A1 GENERATION OF EFFICACY, TOXICITY AND DISEASE SIGNATURES AND METHODS OF USE THEREOF Cantata Pharmaceuticals, Inc. (US) 2005-10-26 EP claimed
WO-2004056456-A1 GENERATION OF EFFICACY, TOXICITY AND DISEASE SIGNATURES AND METHODS OF USE THEREOF CANTATA PHARMACEUTICALS, INC. (US) 2004-07-08 WO claimed
US-20040121305-A1 Generation of efficacy, toxicity and disease signatures and methods of use thereof OXFORD BIOSCIENCE PARTNERS IV, L.P. 2004-06-24 US claimed
US-6544773-B1 For degrading different congeners namely coplanar, sterically hindered and other chlorobiphenyls COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2003-04-08 US claimed
US-20030054538-A1 Microbial process for degradation of PCBs in clophen A-50 using a novel marine microorganism, pseudomonas CH07 SARKAR ANUPAM (IN) 2003-03-20 US claimed
US-5877389-A Process for the oxidative decomposition of organic compounds present in aqueous effluents ELF AQUITAINE (FR) 1999-03-02 US claimed
EP-0748296-B1 METHOD FOR OXIDATIVELY DECOMPOSING ORGANIC COMPOUNDS IN AQUEOUS EFFLUENTS ELF AQUITAINE (FR) 1997-08-27 EP claimed
US-4024093-A Flame retardant polyphenylene ether resin compositions containing a halogenated flame retardant and selected organic iron salts GENERAL ELECTRIC COMPANY (US) 1977-05-17 US claimed