SCHEMBL8977877

SCHEMBL8977877

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.38
KCNN4 O15554 2/20 0.38
CYP2C19 P33261 2/20 0.35
HIF1A Q16665 1/20 0.35
CRHBP P24387 2/20 0.35
CRHR2 Q13324 2/20 0.35
TAAR1 Q96RJ0 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
ATM Q13315 1/20 0.34
TLR9 Q9NR96 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
FBP1 P09467 2/20 0.33
KIF11 P52732 1/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL19326612 0.84 LMNA (0.35) ALDH1A1LMNAKCNN4CYP2C19HIF1A
SCHEMBL8977864 0.79 ALDH1A1 (0.38) ALDH1A1LMNAKCNN4CYP2C19HIF1A
SCHEMBL10980604 0.78 HSP90AA1 (0.45) ALDH1A1KIF11CES2CES1
SCHEMBL3202580 0.78 CYP1A2 (0.45) ALDH1A1LMNACYP2C19HIF1ATAAR1
SCHEMBL11836296 0.78 CYP2C19 (0.38) ALDH1A1LMNAKCNN4CYP2C19HIF1A
SCHEMBL3127205 0.78 ALDH1A1 (0.37) ALDH1A1LMNAKCNN4CYP2C19HIF1A
SCHEMBL9098447 0.76 CYP19A1 (0.37) ALDH1A1LMNAKCNN4CYP2C19HIF1A
SCHEMBL28366877 0.76 ALDH1A1 (0.35) ALDH1A1LMNAKCNN4CYP2C19HIF1A
SCHEMBL28052697 0.76 GSR (0.36) ALDH1A1LMNACYP2C19HIF1AFBP1
SCHEMBL4993966 0.75 CYP2C19 (0.36) ALDH1A1LMNAKCNN4CYP2C19HIF1A

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 13 patents. 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-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
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-5101411-A Semiconductors HITACHI, LTD. (JP) 1992-03-31 US 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