SCHEMBL7579549

SCHEMBL7579549

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

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
TSHR P16473 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
SCHEMBL10948934 0.79 ALDH1A1 (0.36) ALDH1A1TSHR
SCHEMBL12374865 0.78
SCHEMBL12009592 0.78 ALDH1A1 (0.32) ALDH1A1
SCHEMBL10158047 0.78
SCHEMBL12753953 0.78
SCHEMBL11878893 0.78 ALDH1A1 (0.33) ALDH1A1
SCHEMBL7573943 0.77 GSR (0.35) ALDH1A1TSHR
SCHEMBL17768273 0.77
SCHEMBL7573462 0.76 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL20485989 0.76 ALDH1A1 (0.33) ALDH1A1TSHR

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-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
WO-1997047958-A1 METHOD OF EXPLOSIVES DETECTION THE SECRETARY OF STATE FOR DEFENCE (GB) 1997-12-18 WO disclosed
EP-0223440-B1 A PROCESS FOR THE PRODUCTION OF HIGH ENERGY MATERIAL The Secretary of State for Defence in Her Britannic Majesty's Government of the United Kingdom of Great Britain and (GB) 1991-03-06 EP disclosed
US-4985584-A RING OPENING REACTION WITH N2O4 OR N2O5 SECRETARY OF STATE FOR DEFENCE (GB) 1991-01-15 US disclosed
EP-0223440-A1 A process for the production of high energy material The Secretary of State for Defence in Her Britannic Majesty's Government of the United Kingdom of Great Britain and (GB) 1987-05-27 EP disclosed