SCHEMBL778068

SCHEMBL778068

[O-][S+](CF)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32

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
SCHEMBL18639396 1.00 CYP3A4 (0.41) CYP3A4TDP1ESR1ESR2
SCHEMBL779783 0.80 CYP3A4 (0.32) CYP3A4TDP1
SCHEMBL20921242 0.78 CYP3A4 (0.38) CYP3A4TDP1
SCHEMBL1314975 0.78 CYP3A4 (0.38) CYP3A4TDP1
SCHEMBL6913189 0.78 CYP3A4 (0.38) CYP3A4TDP1ESR1ESR2
SCHEMBL2729360 0.75 ACHE (0.38) CYP3A4TDP1
SCHEMBL23284011 0.74 ALDH1A1 (0.36) CYP3A4TDP1
SCHEMBL246078 0.74 CYP3A4 (0.35) CYP3A4TDP1
SCHEMBL3388541 0.74 TP53 (0.38) CYP3A4TDP1
SCHEMBL16363528 0.74 TP53 (0.38) CYP3A4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118666669-A Efficient asymmetric synthesis method of sitafloxacin intermediate (1S, 2S) -2-fluorocyclopropyl carboxylic acid 四川大学 2024-09-20 CN claimed
EP-2173743-A2 SODIUM CHANNEL INHIBITORS Icagen, Inc. (US) 2010-04-14 EP claimed
WO-2009012242-A2 SODIUM CHANNEL INHIBITORS ICAGEN, INC. (US) 2009-01-22 WO claimed
CN-119233972-A Compounds, compositions, and methods 尼科治疗有限公司 2024-12-31 CN disclosed
US-12100809-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2024-09-24 US disclosed
CN-118666669-A Efficient asymmetric synthesis method of sitafloxacin intermediate (1S, 2S) -2-fluorocyclopropyl carboxylic acid 四川大学 2024-09-20 CN disclosed
WO-2023192390-A1 COMPOUNDS, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2023-10-05 WO disclosed
CN-113493386-B Novel high-selectivity asymmetric synthesis process of 2-fluorocyclopropylamine 北京桦冠生物技术有限公司 2023-09-26 CN disclosed
CN-113493386-B Novel high-selectivity asymmetric synthesis process of 2-fluorocyclopropylamine 北京桦冠生物技术有限公司 2023-09-26 CN disclosed
CN-116507608-A Compounds, compositions, and methods 戴纳立制药公司 2023-07-28 CN disclosed
WO-2022109268-A1 COMPOUNDS, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2022-05-27 WO disclosed
US-20120177988-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-07-12 US disclosed
WO-2012056201-A2 ELECTROPHILIC REAGENTS FOR MONOHALOMETHYLATION,THEIR PREPARATION AND THEIR USES HOVIONE INTER LIMITED (CH) 2012-05-03 WO disclosed
WO-2012056201-A2 ELECTROPHILIC REAGENTS FOR MONOHALOMETHYLATION,THEIR PREPARATION AND THEIR USES HOVIONE INTER LIMITED (CH) 2012-05-03 WO disclosed
US-20120070731-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-03-22 US disclosed
US-20090325065-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2009-12-31 US disclosed
EP-2012386-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY Mitsubishi Chemical Corporation (JP) 2009-01-07 EP disclosed
CN-101252929-A G protein-coupled receptor agonists PROSIDION LTD (GB) 2008-08-27 CN disclosed
WO-2008009815-A2 METHOD FOR PREPARING AROMATIC SULFONATES INSTITUT NATIONAL POLYTECHNIQUE DE GRENOBLE (FR) 2008-01-24 WO disclosed
EP-0353732-A2 Fluoro-olefins, method for their preparation and their use CIBA-GEIGY AG (CH) 1990-02-07 EP disclosed