SCHEMBL502161

SCHEMBL502161

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

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
HPGD P15428 1/20 0.50
HIF1A Q16665 1/20 0.50
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CA5A P35218 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
TSHR P16473 3/20 0.33
TDP1 Q9NUW8 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
SCHEMBL11882643 1.00 ALDH1A1 (0.50) ALDH1A1HPGDHIF1AMEN1KMT2A
Methylene Chloride SCHEMBL10527822 0.84 ALDH1A1 (0.41) ALDH1A1HPGDHIF1AMEN1KMT2A
SCHEMBL3594958 0.70
SCHEMBL11341516 0.70 ALDH1A1 (0.50) ALDH1A1HPGDHIF1AMEN1KMT2A
SCHEMBL30386046 0.67
SCHEMBL28195973 0.67 ALDH1A1 (0.47) ALDH1A1HPGDHIF1AMEN1KMT2A
SCHEMBL136652 0.65
SCHEMBL9093617 0.65 MEN1 (0.86) ALDH1A1HPGDHIF1AMEN1KMT2A
SCHEMBL31709992 0.65 MEN1 (0.86) ALDH1A1HPGDHIF1AMEN1KMT2A
SCHEMBL14916717 0.65 MEN1 (0.86) ALDH1A1HPGDHIF1AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119219644-A Bis-triazolo-triazine condensed ring nitrogen-rich compound ion salt, and construction method and application thereof 北京理工大学 2024-12-31 CN claimed
WO-2024196936-A2 LOCALIZED HIGH CONCENTRATION ELECTROLYTE AND LITHIUM-ION BATTERY COMPRISING THE SAME SILA NANOTECHNOLOGIES, INC. (US) 2024-09-26 WO claimed
US-20240322244-A1 LOCALIZED HIGH CONCENTRATION ELECTROLYTE AND LITHIUM-ION BATTERY COMPRISING THE SAME SILA NANOTECHNOLOGIES, INC. 2024-09-26 US claimed
CN-115894453-B Pyrazole compound, energetic ionic salt thereof and preparation method thereof 南京理工大学 2024-04-02 CN claimed
CN-114875022-B Urine preservation solution, preservation method and urine preservation tube 圣湘生物科技股份有限公司 2024-01-19 CN claimed
CN-117230153-A Urine preservation reagent, preservation method and application 北京大学第一医院 2023-12-15 CN claimed
CN-117186109-A Tetrazine nitrate imitation compound and preparation method thereof 北京理工大学 2023-12-08 CN claimed
EP-3941388-B1 METHOD FOR PRODUCING A DENTAL PROSTHESIS STEGER HEINRICH (IT) 2023-07-19 EP claimed
US-11674162-B2 Selective advantage in fermentation GINKGO BIOWORKS, INC. (US) 2023-06-13 US claimed
CN-116041340-A 3-amino-4- (4-amino-5-hydrazino-1, 2, 4-triazol-3-yl) furazan and energetic ionic salts thereof 南京理工大学 2023-05-02 CN claimed
EP-3946728-A1 CO-DEFLAGRATION SYNTHESIS OF METALLIC, CERAMIC, AND MIXED CERAMIC-METALLIC PARTICLES Technology Innovation Momentum Fund (Israel) Limited Partnership (IL) 2022-02-09 EP claimed
WO-2012021006-A3 DOUBLE-LAYER METAL THIN FILM TYPE ELECTRIC POWER GENERATOR, AND INTEGRATED ELECTRIC POWER GENERATOR USING SAME CHUN SUN JU (KR) 2012-05-10 WO claimed
US-7935521-B2 Methods and compositions for rapidly detecting and quantifying viable Legionella PHIGENICS, LLC (US) 2011-05-03 US claimed
US-20090299106-A1 HIGHLY ENERGY-PRODUCING COMPOUND DIEHL BGT DEFENCE GMBH & CO., KG (DE) 2009-12-03 US claimed
EP-1869469-A2 RAPIDLY DETECTING AND QUANTIFYING VIABLE LEGIONELLA Phigenics, LLC (US) 2007-12-26 EP claimed
US-20070218522-A1 METHODS AND COMPOSITIONS FOR RAPIDLY DETECTING AND QUANTIFYING VIABLE LEGIONELLA PHIGENICS LLC (US) 2007-09-20 US claimed
WO-2006099493-A2 RAPIDLY DETECTING AND QUANTIFYING VIABLE LEGIONELLA PHIGENICS, LLC (US) 2006-09-21 WO claimed
US-20060211082-A1 Methods and compositions for rapidly detecting and quantifying viable Legionella PHIGENICS, LLC 2006-09-21 US claimed
CN-1084552-A Sulfurized overbased compositions LUBRIZOL CORP (US) 1994-03-30 CN claimed
US-4141910-A PLASTICIZERS, OXIDIZERS ROCKWELL INTERNATIONAL CORPORATION (US) 1979-02-27 US claimed