SCHEMBL187341

SCHEMBL187341

CC(c1ccccc1)([N+](=O)[O-])[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.43
HIF1A Q16665 1/20 0.43
ALDH1A1 P00352 4/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.41
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
TAAR1 Q96RJ0 1/20 0.38
ALOX15 P16050 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38

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
SCHEMBL9202591 0.81 ALDH1A1 (0.42) CYP2C19HIF1AALDH1A1LMNAMAPK1
SCHEMBL1170985 0.81 ALDH1A1 (0.42) CYP2C19HIF1AALDH1A1LMNAMAPK1
SCHEMBL8932003 0.79 MAPT (0.43) CYP2C19HIF1AALDH1A1LMNAMAPK1
SCHEMBL7025394 0.79 ALDH1A1 (0.41) CYP2C19HIF1AALDH1A1LMNAMAPK1
SCHEMBL8124997 0.77 ALDH1A1 (0.39) CYP2C19HIF1AALDH1A1LMNAMAPK1
SCHEMBL28362063 0.77 ALDH1A1 (0.39) CYP2C19HIF1AALDH1A1LMNAMAPK1
SCHEMBL1348352 0.77 MAPT (0.42) CYP2C19HIF1AALDH1A1LMNAMAPK1
SCHEMBL9404111 0.77 KCNN4 (0.42) CYP2C19HIF1AALDH1A1LMNAMAPK1
SCHEMBL4821001 0.76 ALDH1A1 (0.42) CYP2C19ALDH1A1LMNAMAPTKMT2A
SCHEMBL5594545 0.76 MAPK1 (0.41) CYP2C19HIF1AALDH1A1LMNAMAPK1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10995289-B2 Gasoline product containing combustion improver and manufacturing method therefor ZHOU (BEIJING) AUTOMOTIVE TECHNOLOGY CO., LTD. (CN) 2021-05-04 US claimed
US-20170335212-A1 GASOLINE PRODUCT CONTAINING COMBUSTION IMPROVER AND MANUFACTURING METHOD THEREFOR ZHOU (BEIJING) AUTOMOTIVE TECHNOLOGY CO., LTD. (CN) 2017-11-23 US claimed
EP-3216845-A1 GASOLINE PRODUCT CONTAINING COMBUSTION IMPROVER AND MANUFACTURING METHOD THEREFOR Zhou, Xiangjin (CN) 2017-09-13 EP claimed
CN-107109265-A Gasoline product containing combustion improver and its production method 周向进 2017-08-29 CN claimed
US-7435319-B2 Process for the mild distillative separation of mixtures LANXESS DEUTSCHLAND GMBH (DE) 2008-10-14 US claimed
US-5500060-A IMPROVED SAFETY RELATED TO UNWANTED IGNITION, NITRAMINE COMPOUNDS, AROMATIC NITRO COMPOUNDS ROYAL ORDNANCE PLC (GB) 1996-03-19 US claimed
CN-114539064-A Synthesis method of 4-nitrophenylethane 南通大学 2022-05-27 CN disclosed
US-10995289-B2 Gasoline product containing combustion improver and manufacturing method therefor ZHOU (BEIJING) AUTOMOTIVE TECHNOLOGY CO., LTD. (CN) 2021-05-04 US disclosed
US-20170335212-A1 GASOLINE PRODUCT CONTAINING COMBUSTION IMPROVER AND MANUFACTURING METHOD THEREFOR ZHOU (BEIJING) AUTOMOTIVE TECHNOLOGY CO., LTD. (CN) 2017-11-23 US disclosed
EP-3216845-A1 GASOLINE PRODUCT CONTAINING COMBUSTION IMPROVER AND MANUFACTURING METHOD THEREFOR Zhou, Xiangjin (CN) 2017-09-13 EP disclosed
CN-107109265-A Gasoline product containing combustion improver and its production method 周向进 2017-08-29 CN disclosed
EP-1692297-B1 NITROREDUCTASE BIOSENSORS FOR DETECTING NITRO-COMPOUNDS UNIV WALES BANGOR (GB) 2012-01-04 EP disclosed
WO-2009072955-A1 NEW CHEMICAL COMPOUND SUITABLE FOR USE AS A PLASTICISER IN EXPLOSIVE AND PROPELLANT COMPOSITIONS TOTALFÖRSVARETS FORKSNINGSINSTITUT (SE) 2009-06-11 WO disclosed
US-20040020757-A1 Process for the mild distillative separation of mixtures LANXESS DEUTSCHLAND GMBH (DE) 2004-02-05 US disclosed
EP-1362625-A1 Process for carefully separating a substance mixture by distillation Bayer Aktiengesellschaft (DE) 2003-11-19 EP disclosed
US-5500060-A IMPROVED SAFETY RELATED TO UNWANTED IGNITION, NITRAMINE COMPOUNDS, AROMATIC NITRO COMPOUNDS ROYAL ORDNANCE PLC (GB) 1996-03-19 US disclosed
EP-0410684-B1 Method of condensing N-phenylcarbamates ENICHEM SINTESI (IT) 1994-11-30 EP disclosed
US-5079383-A With A Methylating Agent Using A Zinc Halide Catalyst MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1992-01-07 US disclosed
EP-0410684-A2 Method of condensing N-phenylcarbamates ENICHEM SYNTHESIS S.p.A. (IT) 1991-01-30 EP disclosed
US-4251301-A 1,3,5-TRINITRO-1,3,5-TRIAZACYCLOHEXANE OR 1,3,5,7-TETRANITRO-1,3,5,7-TETRAAZACYCLOOCTANE WITH 1,3,6,8-TETRANITROCARBAZOLE OR 2,4,6,2',4',6'-HEXANITROOXANILIDE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1981-02-17 US disclosed