SCHEMBL5069304

SCHEMBL5069304

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

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.31

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
SCHEMBL29620670 0.92 ALDH1A1 (0.30) ALDH1A1
SCHEMBL14733125 0.92 ALDH1A1 (0.32) ALDH1A1
SCHEMBL14733081 0.86
SCHEMBL14733120 0.84
SCHEMBL14733082 0.83
SCHEMBL439564 0.76 ALDH1A1 (0.38) ALDH1A1
SCHEMBL14733079 0.74 LMNA (0.33) LMNA
SCHEMBL14733080 0.74 ALDH1A1 (0.31) ALDH1A1
SCHEMBL10418727 0.73 ALDH1A1 (0.39) ALDH1A1
SCHEMBL8604968 0.71 ALDH1A1 (0.38) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170066716-A1 ENERGETIC N-SUBSTITUTED 3, 3-DINITROAZETIDINE PLASTICIZER AND PREPARATION METHOD THEREOF AGENCY FOR DEFENSE DEVELOPMENT (KR) 2017-03-09 US disclosed
US-20170066716-A1 ENERGETIC N-SUBSTITUTED 3, 3-DINITROAZETIDINE PLASTICIZER AND PREPARATION METHOD THEREOF AGENCY FOR DEFENSE DEVELOPMENT (KR) 2017-03-09 US disclosed
US-9573894-B1 Energetic N-substituted 3, 3-dinitroazetidine plasticizer and preparation method thereof AGENCY FOR DEFENSE DEVELOPMENT (KR) 2017-02-21 US disclosed
US-9573894-B1 Energetic N-substituted 3, 3-dinitroazetidine plasticizer and preparation method thereof AGENCY FOR DEFENSE DEVELOPMENT (KR) 2017-02-21 US disclosed
US-9227910-B2 Gem-dinitro ester energetic material using esterification and preparation method thereof AGENCY FOR DEFENCE DEVELOPMENT (KR) 2016-01-05 US disclosed
US-9227910-B2 Gem-dinitro ester energetic material using esterification and preparation method thereof AGENCY FOR DEFENCE DEVELOPMENT (KR) 2016-01-05 US disclosed
US-9029591-B2 Gem-dinitro ester compound as energetic material and preparation method thereof AGENCY FOR DEFENSE DEVELOPMENT (KR) 2015-05-12 US disclosed
US-9029591-B2 Gem-dinitro ester compound as energetic material and preparation method thereof AGENCY FOR DEFENSE DEVELOPMENT (KR) 2015-05-12 US disclosed
US-20150119599-A1 GEM-DINITRO ESTER ENERGETIC MATERIAL USING ESTERIFICATION AND PREPARATION METHOD THEREOF AGENCY FOR DEFENSE DEVELOPMENT (KR) 2015-04-30 US disclosed
US-20150119599-A1 GEM-DINITRO ESTER ENERGETIC MATERIAL USING ESTERIFICATION AND PREPARATION METHOD THEREOF AGENCY FOR DEFENSE DEVELOPMENT (KR) 2015-04-30 US disclosed
US-20140121401-A1 GEM-DINITRO ESTER COMPOUND AS ENERGETIC MATERIAL AND PREPARATION METHOD THEREOF AGENCY FOR DEFENSE DEVELOPMENT (KR) 2014-05-01 US disclosed
US-20140121401-A1 GEM-DINITRO ESTER COMPOUND AS ENERGETIC MATERIAL AND PREPARATION METHOD THEREOF AGENCY FOR DEFENSE DEVELOPMENT (KR) 2014-05-01 US disclosed
US-8664247-B2 Acyclic organonitro compounds for use in treating cancer RADIORX, INC. (US) 2014-03-04 US disclosed
US-8664247-B2 Acyclic organonitro compounds for use in treating cancer RADIORX, INC. (US) 2014-03-04 US disclosed
US-20130053418-A1 ACYCLIC ORGANONITRO COMPOUNDS FOR USE IN TREATING CANCER NORTHROP GRUMMAN SYSTEMS CORPORATION 2013-02-28 US disclosed
US-20130053418-A1 ACYCLIC ORGANONITRO COMPOUNDS FOR USE IN TREATING CANCER NORTHROP GRUMMAN SYSTEMS CORPORATION 2013-02-28 US disclosed
US-20090216049-A1 Process and intermediates for the production of BDNPA and BDNPF and other bis(dinitroalkyl)acetals and formals DIMENSION TECHNOLOGY CHEMICAL SYSTEMS, INC. (US) 2009-08-27 US disclosed
US-20090216049-A1 Process and intermediates for the production of BDNPA and BDNPF and other bis(dinitroalkyl)acetals and formals DIMENSION TECHNOLOGY CHEMICAL SYSTEMS, INC. (US) 2009-08-27 US disclosed
EP-1932817-A1 Nitratoethyl nitroamine propellant for automobile safety systems Nitrochemie Wimmis AG (CH) 2008-06-18 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150119599-A1 GEM-DINITRO ESTER ENERGETIC MATERIAL USING ESTERIFICATION AND PREPARATION METHOD THEREOF GMNN, GEMIN5, GEMIN4 ALDH1A1 300/4885LMNA 1399/4885
US-20170066716-A1 ENERGETIC N-SUBSTITUTED 3, 3-DINITROAZETIDINE PLASTICIZER AND PREPARATION METHOD THEREOF NFE2L2, NQO1, NBAS ALDH1A1 126/4885LMNA 3767/4885
US-20090216049-A1 Process and intermediates for the production of BDNPA and BDNPF and other bis(dinitroalkyl)acetals and formals NPPA, NCF1, NOS2 ALDH1A1 88/4885LMNA 571/4885
US-20140121401-A1 GEM-DINITRO ESTER COMPOUND AS ENERGETIC MATERIAL AND PREPARATION METHOD THEREOF GMNN, GEMIN4, GEMIN5 ALDH1A1 1210/4885LMNA 967/4885
US-20130053418-A1 ACYCLIC ORGANONITRO COMPOUNDS FOR USE IN TREATING CANCER GMNN, OTC, OAT ALDH1A1 1345/4885LMNA 1157/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.