Acetonitrile

Acetonitrile

SCHEMBL28905971

CC#N.CCc1cccc(Br)c1CC

nearest known ligand 0.48

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.48
GABRB2 P47870 4/20 0.48
CYP1A2 P05177 2/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 1/20 0.36
PRNP P04156 1/20 0.36
TAAR1 Q96RJ0 5/20 0.34
HTR1A P08908 1/20 0.34
TSHR P16473 2/20 0.33
MGLL Q99685 1/20 0.32
RIPK1 Q13546 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
PYCR1 P32322 1/20 0.32
KCNH2 Q12809 1/20 0.32
SCN5A Q14524 1/20 0.32
CYP2D6 P10635 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL8009692 0.90 GABRA1 (0.58) GABRA1GABRB2CYP1A2TAAR1HTR1A
SCHEMBL1293367 0.78 GABRA1 (0.48) GABRA1GABRB2CYP1A2TAAR1TSHR
SCHEMBL12787109 0.78 GABRA1 (0.54) GABRA1GABRB2CYP1A2TAAR1HTR1A
SCHEMBL1293277 0.76 GABRA1 (0.48) GABRA1GABRB2CYP1A2PRNPTAAR1
SCHEMBL14389055 0.76 GABRA1 (0.52) GABRA1GABRB2CYP1A2TAAR1HTR1A
SCHEMBL1294030 0.76 GABRA1 (0.46) GABRA1GABRB2CYP1A2PRNPTAAR1
SCHEMBL19289793 0.76 GABRA1 (0.52) GABRA1GABRB2TAAR1HTR1ATSHR
SCHEMBL2131306 0.74 DYRK1A (0.41) GABRA1GABRB2CYP1A2PRNPTSHR
SCHEMBL14115760 0.74 GABRA1 (0.50) GABRA1GABRB2CYP1A2CYP1A1CYP1B1
SCHEMBL29735277 0.74 GABRA1 (0.50) GABRA1GABRB2CYP1A2CYP1A1CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115433054-B Preparation method of 1, 2-dibromoethane 山东海王化工股份有限公司 2024-05-03 CN disclosed
CN-117126034-A Method for capturing and separating 1, 2-dibromoethane through chain length selection 浙江大学杭州国际科创中心 2023-11-28 CN disclosed
CN-218189662-U 1,2-dibromoethane preparation device 山东海王化工股份有限公司 2023-01-03 CN disclosed
CN-218187975-U 1, 2-dibromoethane apparatus for producing 山东海王化工股份有限公司 2023-01-03 CN disclosed
CN-115433054-A Preparation method of 1, 2-dibromoethane 山东海王化工股份有限公司 2022-12-06 CN disclosed