SCHEMBL358557

SCHEMBL358557

Brc1ccc(Br)c(Br)c1Br

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.39
APEX1 P27695 1/20 0.38
TDP1 Q9NUW8 2/20 0.35
HSP90AA1 P07900 1/20 0.33
TLR9 Q9NR96 1/20 0.33
ALDH1A1 P00352 2/20 0.32
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
GAA P10253 1/20 0.30
AKR1B1 P15121 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 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
SCHEMBL29646281 1.00 CYP2A6 (0.39) CYP2A6APEX1TDP1HSP90AA1TLR9
SCHEMBL30555886 0.95 CYP2A6 (0.36) CYP2A6APEX1TDP1HSP90AA1TLR9
SCHEMBL27534281 0.95 CYP2A6 (0.36) CYP2A6APEX1TDP1HSP90AA1TLR9
Methane SCHEMBL28608338 0.95 CYP2A6 (0.36) CYP2A6APEX1TDP1HSP90AA1TLR9
SCHEMBL30555943 0.95 CYP2A6 (0.36) CYP2A6APEX1TDP1HSP90AA1TLR9
Ethylene SCHEMBL27260198 0.91 APEX1 (0.33) CYP2A6APEX1TDP1HSP90AA1TLR9
Benzene SCHEMBL2239168 0.88 ALDH1A1 (0.41) CYP2A6APEX1TDP1ALDH1A1GAA
Formaldehyde SCHEMBL27993197 0.88 HSP90AA1 (0.35) CYP2A6APEX1TDP1HSP90AA1TLR9
SCHEMBL26722 0.84 S100A4 (0.33) APEX1
SCHEMBL18173493 0.84 ALDH1A1 (0.38) APEX1TDP1ALDH1A1GAACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116023218-B Method and system for separating anthracene alkylation reaction product 中国石油化工股份有限公司 2025-06-10 CN claimed
CN-114436804-B Alkylanthraquinone composition and method for preparing same 中国石油化工股份有限公司 2024-11-12 CN claimed
CN-118858495-A Method for simultaneously detecting 3 bromobenzene impurities in brominated polystyrene by liquid chromatography 泰州百力化学股份有限公司 2024-10-29 CN claimed
CN-116474799-B Br-CoP@C nano catalyst for ammonia borane hydrolysis hydrogen production and preparation method thereof 复旦大学 2024-10-15 CN claimed
CN-114436798-B Alkylanthraquinone composition and method for preparing same 中国石油化工股份有限公司 2024-09-20 CN claimed
CN-118515525-A Preparation method of synthetic precursor of polybrominated diphenyl compound 上海安谱实验科技股份有限公司 2024-08-20 CN claimed
CN-114436733-B Alkylanthracene composition and preparation method thereof 中国石油化工股份有限公司 2024-06-11 CN claimed
CN-114436797-B Preparation method of 2-alkylanthraquinone 中国石油化工股份有限公司 2024-05-17 CN claimed
CN-114436796-B Preparation method of 2-alkylanthraquinone 中国石油化工股份有限公司 2024-05-17 CN claimed
CN-113646107-B Casting material composition and method for producing casting using same 旭有机材株式会社 2024-05-03 CN claimed
EP-0488861-A1 Process for the preparation of alkoxylated aromatic compounds RHONE-POULENC CHIMIE (FR) 1992-06-03 EP claimed
EP-0455545-A1 Process for the preparation of mono- or polyalkoxylated aromatic compounds RHONE-POULENC CHIMIE (FR) 1991-11-06 EP claimed
EP-0434516-A2 Process for the preparation of mono- or poly-alkoxylated aromatic compounds RHONE-POULENC CHIMIE (FR) 1991-06-26 EP claimed
EP-0434517-A2 Process for the preparation of mono- or poly-alkoxylated aromatic compounds RHONE-POULENC CHIMIE (FR) 1991-06-26 EP claimed
US-4729854-A HALOGEN COMPOUND, MOLDING MATERIALS, CORROSION RESISTANCE KYOWA CHEMICAL INDUSTRY CO., LTD. (JP) 1988-03-08 US claimed
US-4482678-A COUPLERS SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 1984-11-13 US claimed
US-4433020-A DISSOLVING THERMOPLASTIC RESIN AND CROSSLINKING AGENT, ADDING NONFLAMMABLE FIBERS, FEEDING TO CARRIER NET AT ANGLE, AND DEHYDRATION KURARAY CO., LTD. (JP) 1984-02-21 US claimed
US-4096005-A SILVER IODATE, HALOGENATED HYDROCARBONS NUCLEI ENGINEERING, INC. (US) 1978-06-20 US claimed
US-4072651-A Tetrametaphosphimic acid and derivatives as flame retardants THE FIRESTONE TIRE & RUBBER COMPANY (US) 1978-02-07 US claimed
US-3957722-A FLAME-RESISTANT POLYBUTADIENE RESIN THE FIRESTONE TIRE & RUBBER COMPANY (US) 1976-05-18 US claimed