SCHEMBL28056361

SCHEMBL28056361

Oc1ccc(Br)c(Br)c1Br.[MgH2]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.42
POLB P06746 1/20 0.41
ALOX12 P18054 1/20 0.41
NQO2 P16083 1/20 0.37
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 2/20 0.35
HTT P42858 1/20 0.35
CSNK2A1 P68400 1/20 0.35
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
AKR1B1 P15121 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
PIM1 P11309 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
SNCA P37840 1/20 0.31
CES2 O00748 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
SCHEMBL94834 0.97 ALOX15 (0.43) ALOX15POLBALOX12NQO2KDM4E
SCHEMBL25414587 0.97 ALOX15 (0.43) ALOX15POLBALOX12NQO2KDM4E
Hydrochloric Acid SCHEMBL27860953 0.94 ALOX15 (0.42) ALOX15POLBALOX12NQO2KDM4E
SCHEMBL5803280 0.94 ALOX15 (0.42) ALOX15POLBALOX12NQO2KDM4E
Bromide SCHEMBL11723996 0.94 ALOX15 (0.42) ALOX15POLBALOX12NQO2KDM4E
SCHEMBL31147172 0.94 ALOX15 (0.42) ALOX15POLBALOX12NQO2KDM4E
SCHEMBL28786223 0.94 ALOX15 (0.42) ALOX15POLBALOX12NQO2KDM4E
Ethylene SCHEMBL7787456 0.92 ALOX15 (0.40) ALOX15POLBALOX12NQO2KDM4E
Hydroquinone SCHEMBL11201266 0.87 ALOX15 (0.43) ALOX15POLBALOX12NQO2KDM4E
Bicarbonate SCHEMBL4786855 0.87 AKR1C3 (0.38) ALOX15POLBALOX12NQO2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105566386-B Phenylphosphonothioic acid two(Tribromo phenyl)Ester compounds and preparation method thereof 苏州科技大学 2018-11-16 CN disclosed
CN-105566386-B Phenylphosphonothioic acid two(Tribromo phenyl)Ester compounds and preparation method thereof 苏州科技大学 2018-11-16 CN disclosed
CN-105418676-B The preparation method of fragrant bromine organic phosphonate compounds 苏州科技大学 2018-07-31 CN disclosed
CN-105418676-B The preparation method of fragrant bromine organic phosphonate compounds 苏州科技大学 2018-07-31 CN disclosed
CN-108276439-A A kind of brominated phosphate fire retardant and preparation method thereof 湖州利鹏新材料科技有限公司 2018-07-13 CN disclosed
CN-105566386-A Phenylthiophosphonic bi-(tribromophenyl) ester compound and preparation method thereof UNIV SUZHOU SCIENCE & TECH 2016-05-11 CN disclosed
CN-105566386-A Phenylthiophosphonic bi-(tribromophenyl) ester compound and preparation method thereof UNIV SUZHOU SCIENCE & TECH 2016-05-11 CN disclosed
CN-105418676-A Preparation method of arylbromide organic phosphonate compound UNIV SUZHOU SCIENCE & TECH 2016-03-23 CN disclosed
CN-105418676-A Preparation method of arylbromide organic phosphonate compound UNIV SUZHOU SCIENCE & TECH 2016-03-23 CN disclosed