SCHEMBL7572619

SCHEMBL7572619

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

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
PTGS1 P23219 1/20 0.30
PTGS2 P35354 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
SCHEMBL10489572 0.96 ALDH1A1 (0.32) ALDH1A1
SCHEMBL11750610 0.88 CA12 (0.33) ALDH1A1PTGS2
SCHEMBL14476657 0.84 PTGS1 (0.33) ALDH1A1PTGS1PTGS2
SCHEMBL11649021 0.79 ALDH1A1 (0.39) ALDH1A1
SCHEMBL287823 0.79
SCHEMBL16914735 0.78 PTGS2 (0.35) ALDH1A1PTGS1PTGS2
SCHEMBL12753910 0.77 CA1 (0.31) ALDH1A1PTGS1PTGS2
SCHEMBL12753913 0.77 CA1 (0.31) ALDH1A1PTGS1PTGS2
SCHEMBL989882 0.77 ALDH1A1 (0.37) ALDH1A1PTGS1PTGS2
SCHEMBL1244609 0.77 ALDH1A1 (0.37) ALDH1A1PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4507161-A OXYGEN RELEASING SALT, EMULSIFIERS ICI AUSTRALIA LIMITED (AU) 1985-03-26 US claimed
US-20240410055-A1 METHOD AND FORMULATION FOR PREPARING OPTICAL METAL OXIDE LAYERS MERCK PATENT GMBH (DE) 2024-12-12 US disclosed
CN-118076767-A Method and formulation for producing an optical metal oxide layer 默克专利有限公司 2024-05-24 CN disclosed
WO-2023057401-A1 METHOD AND FORMULATION FOR PREPARING OPTICAL METAL OXIDE LAYERS MERCK PATENT GMBH (DE) 2023-04-13 WO disclosed
US-20180029004-A1 APPARATUS AND METHOD FOR CONTINUOUS PRODUCTION OF POLYETHYLENE GLYCOL DINITRATE Avocet IP limited (GB) 2018-02-01 US disclosed
EP-0904531-B1 METHOD OF EXPLOSIVES DETECTION SECR DEFENCE (GB) 2002-09-25 EP disclosed
US-6245576-B1 ANALYZING SAMPLES FOR ENERGETIC MATERIALS; BY HEATING SAMPLES IN CHAMBER UNDER PRESSURE AND DETECTING CHEMILUMINESCENT EMISSION THE SECRETARY OF STATE FOR DEFENCE IN HER BRITTANIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND OF DEFENCE EVALUATION RESEARCH AGENCY (GB) 2001-06-12 US disclosed
EP-0904531-A1 METHOD OF EXPLOSIVES DETECTION THE SECRETARY OF STATE FOR DEFENCE (GB) 1999-03-31 EP disclosed
US-5737709-A High pressure washout of explosives agents EAGLE INDUSTRIES UNLIMITED, INC. 1998-04-07 US disclosed
WO-1997047958-A1 METHOD OF EXPLOSIVES DETECTION THE SECRETARY OF STATE FOR DEFENCE (GB) 1997-12-18 WO disclosed
US-5074938-A Composite grains containing ammonium nitrate oxidizer, cured polymeric binder, nitrate ester plasticizer, free boron; rockets THIOKOL CORPORATION (US) 1991-12-24 US disclosed
US-4507161-A OXYGEN RELEASING SALT, EMULSIFIERS ICI AUSTRALIA LIMITED (AU) 1985-03-26 US disclosed