Benzene

Benzene

SCHEMBL28075700

O=C(O)CO.c1ccccc1.c1ccccc1

nearest known ligand 0.44

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OR51E2 Q9H255 2/20 0.44
LMNA P02545 3/20 0.43
LDHA P00338 1/20 0.43
SRR Q9GZT4 1/20 0.43
ALKBH5 Q6P6C2 1/20 0.43
SUCNR1 Q9BXA5 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
TSHR P16473 3/20 0.40
FFAR3 O14843 1/20 0.40
GLRA1 P23415 1/20 0.40
SLC6A9 P48067 1/20 0.40
AKR1B1 P15121 1/20 0.40
CAMK2A Q9UQM7 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KEAP1 Q14145 1/20 0.36
CYP2D6 P10635 3/20 0.35
CYP2C19 P33261 1/20 0.35
NFKB1 P19838 1/20 0.35
PMP22 Q01453 1/20 0.35

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
Benzene SCHEMBL9067267 1.00 OR51E2 (0.44) OR51E2LMNALDHASRRALKBH5
Glycolic Acid SCHEMBL1222 0.91
Glycolic Acid SCHEMBL2518351 0.91 LMNA (0.50) OR51E2LMNALDHASRRALKBH5
Glycolic Acid SCHEMBL1331333 0.91
Glycolic Acid SCHEMBL6362687 0.91
Glycolic Acid SCHEMBL11698763 0.91 LMNA (0.50) OR51E2LMNALDHASRRALKBH5
Glycolic Acid SCHEMBL811403 0.91 LMNA (0.50) OR51E2LMNALDHASRRALKBH5
Glycolic Acid SCHEMBL1002391 0.86
Glycolic Acid SCHEMBL6813507 0.86
Glycolic Acid SCHEMBL59682 0.86

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102964345-B A kind of preparation method of 2-hydroxyl-2,2-diphenyl acetic acid-3 α-(8-azabicyclo [3,2,1])-3-monooctyl ester 四川理工学院 2016-07-13 CN claimed
CN-103772379-B A kind of preparation method of trospium chloride key intermediate 寿光富康制药有限公司 2016-06-15 CN claimed
CN-105646477-A Synthetic process for trospium chloride 青岛首泰农业科技有限公司 2016-06-08 CN claimed
CN-102964345-B A kind of preparation method of 2-hydroxyl-2,2-diphenyl acetic acid-3 α-(8-azabicyclo [3,2,1])-3-monooctyl ester 四川理工学院 2016-07-13 CN disclosed
CN-102964345-B A kind of preparation method of 2-hydroxyl-2,2-diphenyl acetic acid-3 α-(8-azabicyclo [3,2,1])-3-monooctyl ester 四川理工学院 2016-07-13 CN disclosed
CN-103772379-B A kind of preparation method of trospium chloride key intermediate 寿光富康制药有限公司 2016-06-15 CN disclosed
CN-103772379-B A kind of preparation method of trospium chloride key intermediate 寿光富康制药有限公司 2016-06-15 CN disclosed
CN-105646477-A Synthetic process for trospium chloride 青岛首泰农业科技有限公司 2016-06-08 CN disclosed
CN-102159070-B An agriculture actives delivery composition comprising boron and persulfate ion-crosslinked polyvinyl alcohol mocrocapsules and method of use thereof APPVION INC 2015-07-01 CN disclosed
CN-106507794-B The preparation method of hexichol hydroxyl second mercapto diethylammonium salt base ethyl ester and its hydrochloride and its purposes in medicine 中国人民解放军军事医学科学院毒物药物研究所 2011-07-27 CN disclosed