SCHEMBL314806

SCHEMBL314806

O=C(O)Cc1ccccc1I

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.61
CYP1A2 P05177 2/20 0.61
CYP2C9 P11712 2/20 0.61
CYP2C19 P33261 2/20 0.61
CYP2D6 P10635 1/20 0.61
TDP1 Q9NUW8 1/20 0.53
BCAT2 O15382 1/20 0.47
CXCL8 P10145 5/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
TAAR1 Q96RJ0 1/20 0.45
MAPK8 P45983 1/20 0.44
PTGS1 P23219 2/20 0.43
IDO1 P14902 1/20 0.43
ABCC4 O15439 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
AKR1B10 O60218 1/20 0.43

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
SCHEMBL30561548 1.00 AKR1B1 (0.61) AKR1B1CYP1A2CYP2C9CYP2C19CYP2D6
Acetic Acid SCHEMBL8565181 0.94 CYP1A2 (0.56) AKR1B1CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL3246425 0.84 CYP1A2 (0.58) AKR1B1CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL29410826 0.83 AKR1B1 (0.76) AKR1B1CYP1A2CYP2C9CYP2C19TDP1
SCHEMBL30359 0.83 AKR1B1 (0.76) AKR1B1CYP1A2CYP2C9CYP2C19TDP1
SCHEMBL289780 0.81 AKR1B1 (0.50) AKR1B1CYP1A2CYP2C9CYP2C19CYP2D6
Iodide SCHEMBL31305035 0.80 AKR1B1 (0.73) AKR1B1CYP1A2CYP2C9CYP2C19TDP1
SCHEMBL28842838 0.80 AKR1B1 (0.73) AKR1B1CYP1A2CYP2C9CYP2C19TDP1
Hydrochloric Acid SCHEMBL6767821 0.80 AKR1B1 (0.73) AKR1B1CYP1A2CYP2C9CYP2C19TDP1
Hydrogen Sulfide SCHEMBL27426416 0.80 AKR1B1 (0.73) AKR1B1CYP1A2CYP2C9CYP2C19TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119407403-A Low-temperature welding material for photovoltaic module 厦门大学 2025-02-11 CN claimed
CN-117567352-A Synthesis method of indolone 云南省烟草公司楚雄州公司 2024-02-20 CN claimed
CN-117310039-A Method for detecting halogenated organic pollutants in plastic of electronic and electrical product 东莞理工学院 2023-12-29 CN claimed
WO-2023197384-A1 CANNABINOL PREPARATION METHOD IN COPPER-CATALYZED ONE-POT PROCESS 上海锐康生物技术研发有限公司 2023-10-19 WO claimed
WO-2023137518-A1 PLATINUM COMPLEXES Western Sydney University (AU) 2023-07-27 WO claimed
CN-112979742-B 3 alpha, 20, 20-trihydroxy-5 alpha-pregna-18-carboxylic acid-gamma-lactone and preparation method thereof 泰州职业技术学院 2022-07-01 CN claimed
CN-112961207-B 3 alpha-acetoxyl group-20, 20-dihydroxy-5 alpha-pregna-18-carboxylic acid-gamma-lactone and preparation method thereof 泰州职业技术学院 2022-07-01 CN claimed
CN-112940069-B 5 alpha-pregna-18, 20 beta-oxidized-3 alpha-alcohol and preparation method thereof 泰州职业技术学院 2022-06-17 CN claimed
CN-112979742-A 3 alpha, 20, 20-trihydroxy-5 alpha-pregna-18-carboxylic acid-gamma-lactone and preparation method thereof 泰州职业技术学院 2021-06-18 CN claimed
CN-112961207-A 3 alpha-acetoxyl group-20, 20-dihydroxy-5 alpha-pregna-18-carboxylic acid-gamma-lactone and preparation method thereof 泰州职业技术学院 2021-06-15 CN claimed
EP-0962464-A2 Methods and compositions for detecting binding of ligand pair using non-fluorescent label Rapigene, Inc. (US) 1999-12-08 EP claimed
EP-0954596-A1 ENHANCED PRODUCTION OF TAXANES BY CELL CULTURES OF $i(TAXUS) SPECIES PHYTON, INC. (US) 1999-11-10 EP claimed
WO-1999005319-A9 METHODS AND COMPOUNDS FOR ANALYZING NUCLEIC ACIDS BY MASS SPECTROMETRY RAPIGENE INC (US) 1999-06-17 WO claimed
WO-1999005319-A2 METHODS AND COMPOUNDS FOR ANALYZING NUCLEIC ACIDS BY MASS SPECTROMETRY RAPIGENE, INC. (US) 1999-02-04 WO claimed
EP-0868535-A2 METHODS AND COMPOSITIONS FOR DETERMINING THE SEQUENCE OF NUCLEIC ACID MOLECULES Rapigene, Inc. (US) 1998-10-07 EP claimed
EP-0850320-A2 METHODS AND COMPOSITIONS FOR DETECTING BINDING OF LIGAND PAIR USING NON-FLUORESCENT LABEL DARWIN MOLECULAR CORPORATION (US) 1998-07-01 EP claimed
WO-1997044476-A1 ENHANCED PRODUCTION OF TAXANES BY CELL CULTURES OF TAXUS SPECIES PHYTON, INC. (US) 1997-11-27 WO claimed
WO-1997027331-A9 METHODS AND COMPOSITIONS FOR DETERMINING THE SEQUENCE OF NUCLEIC ACID MOLECULES 1997-10-09 WO claimed
WO-1997027331-A2 METHODS AND COMPOSITIONS FOR DETERMINING THE SEQUENCE OF NUCLEIC ACID MOLECULES RAPIGENE, INC. (US) 1997-07-31 WO claimed
WO-1997027327-A2 METHODS AND COMPOSITIONS FOR DETECTING BINDING OF LIGAND PAIR USING NON-FLUORESCENT LABEL RAPIGENE, INC. (US) 1997-07-31 WO claimed