SCHEMBL50100

SCHEMBL50100

c1ccc2cc3c(ccc4cccc(OB(Oc5cccc6ccc7cc8ccccc8cc7c56)Oc5cccc6ccc7cc8ccccc8cc7c56)c43)cc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.43
ERBB2 P04626 1/20 0.43
FYN P06241 1/20 0.43
MAOA P21397 1/20 0.43
ACHE P22303 1/20 0.43
AHR P35869 1/20 0.43
ALDH1A1 P00352 9/20 0.38
HSD17B10 Q99714 7/20 0.38
HPGD P15428 5/20 0.38
HIF1A Q16665 4/20 0.38
CYP1B1 Q16678 2/20 0.38
THRB P10828 1/20 0.38
NQO1 P15559 1/20 0.37
GAA P10253 3/20 0.36
KDM4E B2RXH2 2/20 0.36
TSHR P16473 3/20 0.35
CASP1 P29466 3/20 0.35
MAPK1 P28482 2/20 0.35
CASP7 P55210 2/20 0.35
TP53 P04637 1/20 0.35

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
Ammonia Solution, Strong SCHEMBL8665916 0.98 CYP1A2 (0.42) CYP1A2ERBB2FYNMAOAACHE
Trimethylammonium SCHEMBL5191404 0.94 CYP1A2 (0.39) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL16990771 0.89 CYP1A2 (0.36) CYP1A2ERBB2FYNMAOAACHE
Tetrahydrofuran SCHEMBL8033535 0.88 CYP1A2 (0.35) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL7572908 0.88 HTR1B (0.36) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL19259375 0.86 CYP1A2 (0.41) CYP1A2ERBB2FYNMAOAACHE
Iodide SCHEMBL21808443 0.86 ERBB2 (0.33) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL15750821 0.85 CYP1A2 (0.40) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL911163 0.85 CYP1A2 (0.40) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL1314570 0.85 CYP1A2 (0.40) CYP1A2ERBB2FYNMAOAACHE

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

Appears in 4654 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111433231-B Method for producing styrene resin and styrene resin molded body 出光兴产株式会社 2024-07-16 CN claimed
CN-113906065-B Copolymer for polymer electrolyte, gel polymer electrolyte including the same, and lithium secondary battery 株式会社LG新能源 2024-05-28 CN claimed
CN-111094385-B Charge-transporting compound, composition containing charge-transporting compound, and organic electroluminescent element using same 三菱化学株式会社 2024-04-09 CN claimed
US-20240092946-A1 LIQUID, HYBRID UV/VIS RADIATION CURABLE RESIN COMPOSITIONS FOR ADDITIVE FABRICATION STRATASYS INC (US) 2024-03-21 US claimed
WO-2024052256-A1 SPECIFIC BENZOPYRYLIUM SALTS AS DYESTUFFS FOR PHOTOPOLYMER COMPOSITIONS COVESTRO DEUTSCHLAND AG (DE) 2024-03-14 WO claimed
CN-117466798-A Near infrared fluorescent dye and application thereof in oxidative stress detection 华东理工大学 2024-01-30 CN claimed
US-11866526-B2 Liquid, hybrid UV/vis radiation curable resin compositions for additive fabrication STRATASYS, INC. (US) 2024-01-09 US claimed
CN-114746470-B One-component (1K) compositions based on epoxy resins 汉高股份有限及两合公司 2023-12-22 CN claimed
CN-117174496-A Electrolyte additives for capacitor auxiliary batteries 通用汽车环球科技运作有限责任公司 2023-12-05 CN claimed
CN-117024312-A Aryl sulfonyl fluoride and preparation method using aryl sulfonium salt as substrate 上海应用技术大学 2023-11-10 CN claimed
US-4995960-A Used in non-aqueous solution, sensing proteins, cells and viruses PUBLIC HEALTH LABORATORY SERVICE BOARD (GB) 1991-02-26 US claimed
EP-0343210-A1 ELECTROCHEMICAL ELECTRODES The Public Health Laboratory Service Board (GB) 1989-11-29 EP claimed
WO-1989004958-A1 ELECTROCHEMICAL ELECTRODES PUBLIC HEALTH LABORATORY SERVICE BOARD (GB) 1989-06-01 WO claimed
EP-0077980-A2 (Potassium ion-selective membrane) electrode NOVA BIOMEDICAL CORPORATION (US) 1983-05-04 EP claimed
US-4374062-A ASSYMETRICAL HYDROGENATION OF DEHYDROPEPTIDES USING A PHODIUM COMPLEX CATALYST DEGUSSA AKTIENGESELLSCHAFT (DE) 1983-02-15 US claimed
US-4361473-A CROWN COMPOUNDS NOVA BIOMEDICAL CORPORATION (US) 1982-11-30 US claimed
US-4214968-A Ion-selective electrode EASTMAN KODAK COMPANY (US) 1980-07-29 US claimed
US-4169030-A PRODUCTION OF HYDROGEN FUEL BY SOLAR PHOTOLYSIS OF WATER CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1979-09-25 US claimed
US-4138372-A TETRAPHENYL BORATE-AMINE COMPLEX LATENT CATALYST; DIISOCIATION OF URETDIONE TO ISOCYANATE, POLYMERIZATION TO POLYISOCYANURATE AND POL HITACHI, LTD. (JP) 1979-02-06 US claimed
US-3935025-A Electric storage battery providing high energy density ETAT FRANCAIS (FR) 1976-01-27 US claimed