SCHEMBL10403262

SCHEMBL10403262

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.55
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
PTGS1 P23219 3/20 0.37
PTGS2 P35354 3/20 0.37
NPC1 O15118 1/20 0.36
ADAM17 P78536 1/20 0.36
F2 P00734 1/20 0.36
KMT2A Q03164 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
ACP3 P15309 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
CYP1A2 P05177 1/20 0.33
FBP1 P09467 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL376375 0.83 GSR (0.44) GSRALDH1A1LMNANPC1ADAM17
SCHEMBL2028620 0.81 GSR (0.43) GSRALDH1A1LMNANPC1ADAM17
SCHEMBL27521461 0.79 GSR (0.46) GSRALDH1A1LMNANPC1ADAM17
SCHEMBL10936620 0.79 GSR (0.42) GSRALDH1A1LMNANPC1ADAM17
SCHEMBL10692142 0.79 GSR (0.46) GSRALDH1A1LMNAPTGS1PTGS2
SCHEMBL8582412 0.79 GSR (0.42) GSRALDH1A1LMNANPC1ADAM17
SCHEMBL1831576 0.79 GSR (0.42) GSRALDH1A1LMNANPC1ADAM17
SCHEMBL9838307 0.78 GSR (0.58) GSRALDH1A1LMNAPTGS1PTGS2
SCHEMBL3125882 0.78 GSR (0.41) GSRALDH1A1LMNANPC1ADAM17
SCHEMBL1542532 0.77 GSR (0.41) GSRALDH1A1LMNAPTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0330406-A2 Radiation-sensitive resin composition JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1989-08-30 EP claimed
EP-4028384-B1 PROCESS FOR THE PREPARATION OF ALPHA-METHYL-[4-(NITRO)-2-(TRIFLUOROMETHYL)]-BENZYL NITRATE BASF AGRO BV (NL) 2023-11-08 EP disclosed
EP-4028384-A1 PROCESS FOR THE PREPARATION OF ALPHA-METHYL-[4-(NITRO)-2-(TRIFLUOROMETHYL)]-BENZYL NITRATE BASF Agro B.V. (NL) 2022-07-20 EP disclosed
CN-114364655-A Preparation method of nitric acid alpha-methyl- [4- (nitro) -2- (trifluoromethyl) ] -benzyl ester 巴斯夫农业公司 2022-04-15 CN disclosed
WO-2021047978-A1 PROCESS FOR THE PREPARATION OF Α-METHYL-[4-(NITRO)-2-(TRIFLUOROMETHYL)]-BENZYL NITRATE BASF Agro B.V. (NL) 2021-03-18 WO disclosed
US-4963463-A Radiation-sensitive resin composition with admixtures of O-quinone diazide and acid esters having nitrobenzyl or cyanobenzyl group JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1990-10-16 US disclosed
EP-0330406-A2 Radiation-sensitive resin composition JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1989-08-30 EP disclosed