SCHEMBL27933239

SCHEMBL27933239

CCC(O)CS(=O)(=O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.57
CYP1A2 P05177 1/20 0.53
GAA P10253 1/20 0.53
CYP2C19 P33261 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
HSD11B1 P28845 7/20 0.51
RCE1 Q9Y256 1/20 0.50
POLB P06746 1/20 0.44
ALDH1A1 P00352 2/20 0.43
TP53 P04637 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL1850942 0.82 CYP1A2 (0.54) PSIP1CYP1A2GAACYP2C19TDP1
SCHEMBL10361091 0.81 TDP1 (0.56) PSIP1CYP1A2GAACYP2C19TDP1
SCHEMBL10571563 0.81 TDP1 (0.56) PSIP1CYP1A2GAACYP2C19TDP1
SCHEMBL2446833 0.80 PSIP1 (0.61) PSIP1CYP1A2GAACYP2C19TDP1
SCHEMBL7724605 0.80 PSIP1 (0.56) PSIP1CYP1A2GAACYP2C19TDP1
SCHEMBL9426107 0.80 PSIP1 (0.56) PSIP1CYP1A2GAACYP2C19TDP1
SCHEMBL10650824 0.79 PSIP1 (0.54) PSIP1CYP1A2GAACYP2C19TDP1
SCHEMBL5074951 0.79 CYP1A2 (0.51) PSIP1CYP1A2GAACYP2C19TDP1
SCHEMBL22081139 0.79 PSIP1 (0.46) PSIP1CYP1A2GAACYP2C19TDP1
SCHEMBL2444476 0.78 PSIP1 (0.59) PSIP1CYP1A2GAACYP2C19TDP1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114716296-B Efficient halogenation synthesis method of alkyl halide 润药仁智(北京)科技有限公司 2023-12-12 CN disclosed
CN-116606232-A Novel monofluoroalkyl compounds, preparation method and application thereof 许昌学院 2023-08-18 CN disclosed
CN-114716296-A Efficient halogenation synthesis method of alkyl halide 北京大学 2022-07-08 CN disclosed
CN-106496367-A Catalytic component and its preparation and application for olefinic polymerization 中国石油化工股份有限公司 2017-03-15 CN disclosed
CN-103509135-B Olefin polymerization catalyst component, preparation method and application thereof CHINA PETROLEUM & CHEMICAL 2015-07-22 CN disclosed
CN-103509135-A Olefin polymerization catalyst component, preparation method and application thereof CHINA PETROLEUM & CHEMICAL 2014-01-15 CN disclosed