Benzene

Benzene

SCHEMBL27433682

C=C[N+](=O)[O-].c1ccccc1

nearest known ligand 0.40

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 5/20 0.40
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPT P10636 2/20 0.31
TLR4 O00206 1/20 0.31
TLR2 O60603 1/20 0.31
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HSP90AA1 P07900 1/20 0.31
PRMT1 Q99873 1/20 0.30
CPA1 P15085 1/20 0.30

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
SCHEMBL362 0.89
Potassium SCHEMBL10628380 0.85
Ammonia Solution, Strong SCHEMBL28250028 0.85
SCHEMBL27985334 0.85
Ammonia Solution, Strong SCHEMBL9388248 0.85
SCHEMBL10790464 0.85
Methane SCHEMBL28231703 0.85
Bicarbonate SCHEMBL180081 0.83
Butadiene SCHEMBL11669047 0.81
Toluene SCHEMBL28016819 0.80 LMNA (0.50) FBP1ALDH1A1LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112442026-B Mesoionic derivative and preparation method and application thereof 东莞市东阳光农药研发有限公司 2023-08-08 CN disclosed
CN-112442026-A Mesoionic derivative and preparation method and application thereof 东莞市东阳光农药研发有限公司 2021-03-05 CN disclosed
CN-107188771-A Chiral synthesis method of gamma-nitrophenol compound 浙江工业大学 2017-09-22 CN disclosed
CN-105250260-A Anti-tumor application of 1,3-indandione spiro compound UNIV CHENGDU TRAD CN MEDICINE 2016-01-20 CN disclosed
CN-103467360-A Morpholine derivative with R-proline in cyclopropane structure and preparation method thereof UNIV JIAXING 2013-12-25 CN disclosed
CN-103467362-A S-diphenyl prolinol chiral small organic molecular compound with cyclopropane structure and synthetic method thereof UNIV JIAXING 2013-12-25 CN disclosed
CN-103467361-A Morpholine derivative with S-proline in cyclopropane structure and preparation method thereof UNIV JIAXING 2013-12-25 CN disclosed
CN-103450074-A R-L-prolinol chiral organic small molecule compound with cyclopropane structure and synthesis method of R-L-prolinol chiral organic small molecule compound UNIV JIAXING 2013-12-18 CN disclosed
CN-103450072-A Pyrrole derivative of R-proline with cyclopropane structure and preparation method of pyrrole derivative UNIV JIAXING 2013-12-18 CN disclosed
CN-103450073-A R-diphenyl prolinol chiral organic small molecule compound with cyclopropane structure and synthesis method of R-diphenyl prolinol chiral organic small molecule compound UNIV JIAXING 2013-12-18 CN disclosed
CN-103435534-A Preparation method of S-proline having cyclopropane structure UNIV JIAXING 2013-12-11 CN disclosed
CN-103435535-A Preparation method of R-proline having cyclopropane structure UNIV JIAXING 2013-12-11 CN disclosed
CN-103435533-A Chiral organic small molecular compound of S-prolinol having cyclopropane structure and synthetic method of chiral organic small molecular compound UNIV JIAXING 2013-12-11 CN disclosed
CN-103435536-A Pyrrole derivative of S-proline having cyclopropane structure and preparation method of pyrrole derivative UNIV JIAXING 2013-12-11 CN disclosed
CN-1098842-C Organic second nonlinear optic response chromophore compound CHINESE ACAD INST CHEMISTRY (CN) 2003-01-15 CN disclosed
CN-1218804-A Organic second nonlinear optic response chromophore compound CHINESE ACAD INST CHEMISTRY (CN) 1999-06-09 CN disclosed