SCHEMBL28057527

SCHEMBL28057527

O=C(O)c1cccc(F)c1OS(=O)(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.50
DHODH Q02127 3/20 0.41
ALDH1A1 P00352 3/20 0.40
CES2 O00748 2/20 0.40
CES1 P23141 2/20 0.40
HPGD P15428 2/20 0.40
MAPK1 P28482 1/20 0.40
BCHE P06276 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
FABP4 P15090 1/20 0.40
ALOX15 P16050 3/20 0.39
KAT6A Q92794 2/20 0.37
NAPRT Q6XQN6 1/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36

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
SCHEMBL9766397 0.87 ALDH1A1 (0.46) ALBALDH1A1HPGDMAPK1KDM4E
Hydrazine SCHEMBL28200764 0.80 CES2 (0.37) CES2CES1BCHEKMT2A
SCHEMBL11651045 0.79 MMP2 (0.50) ALDH1A1HPGDMAPK1KDM4EHSD17B10
SCHEMBL28861367 0.79 ALDH1A1 (0.40) ALBALDH1A1HPGDMAPK1KDM4E
SCHEMBL6064531 0.79 ALOX15 (0.42) ALDH1A1HPGDMAPK1KDM4EHSD17B10
SCHEMBL28244595 0.79 PRNP (0.42) ALBALDH1A1HPGDMAPK1KDM4E
SCHEMBL28161907 0.79 MEN1 (0.46) DHODHALDH1A1HPGDMAPK1KDM4E
SCHEMBL7610336 0.78 ALB (0.57) ALBDHODHALDH1A1CES2CES1
Hydrazine SCHEMBL9314976 0.77 F2 (0.41) ALDH1A1HPGDMAPK1KDM4EHSD17B10
SCHEMBL1308246 0.77 ALDH1A1 (0.38) ALBALDH1A1HPGDMAPK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108329412-A A kind of polyvinyl alcohol ester benzene sulfonate and its synthetic method, printing hydrophilic version and application and galley 中国科学院化学研究所 2018-07-27 CN claimed
CN-108329445-A A kind of phenolic resin esterification benzene sulfonate and its synthetic method, printing hydrophilic version and application and galley 中国科学院化学研究所 2018-07-27 CN claimed
CN-109690861-A Lithium ion secondary battery 日本电气株式会社 2019-04-26 CN disclosed
CN-108329412-A A kind of polyvinyl alcohol ester benzene sulfonate and its synthetic method, printing hydrophilic version and application and galley 中国科学院化学研究所 2018-07-27 CN disclosed
CN-108329445-A A kind of phenolic resin esterification benzene sulfonate and its synthetic method, printing hydrophilic version and application and galley 中国科学院化学研究所 2018-07-27 CN disclosed
CN-108091826-A Nonaqueous electrolyte solution for secondary battery and nonaqueous electrolyte secondary battery using same 三菱化学株式会社 2018-05-29 CN disclosed
CN-106848406-A Nonaqueous electrolyte solution for secondary battery and nonaqueous electrolyte secondary battery using same 三菱化学株式会社 2017-06-13 CN disclosed
CN-102569893-B Nonaqueous electrolyte solution for secondary battery and nonaqueous electrolyte secondary battery using same MITSUBISHI CHEMICAL CORP. (JP) 2016-05-11 CN disclosed