SCHEMBL2348600

SCHEMBL2348600

O=[N+]([O-])N1CC(N(F)F)(N(F)F)CN([N+](=O)[O-])CC(N(F)F)(N(F)F)C1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GAA P10253 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
SCHEMBL7254408 0.92
SCHEMBL7524093 0.91 GAA (0.32) GAA
SCHEMBL13592844 0.90 GAA (0.30) GAA
SCHEMBL14958921 0.77 GAA (0.32) GAA
SCHEMBL7248680 0.72 GAA (0.33) GAA
SCHEMBL436830 0.72 GAA (0.33) GAA
SCHEMBL4400772 0.69
SCHEMBL13613326 0.68 APEX1 (0.43) GAA
SCHEMBL11768878 0.64 MEN1 (0.31)
SCHEMBL11230841 0.63 GAA (0.35) GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10766832-B1 Nano-enhanced explosive material SAINT LOUIS UNIVERSITY (US) 2020-09-08 US claimed
US-7632943-B1 Method for making 3,3,7,7-tetrakis(difluoramino)octahydro-1,5-dinitro-1,5-diazocine (HNFX) THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2009-12-15 US claimed
US-10766832-B1 Nano-enhanced explosive material SAINT LOUIS UNIVERSITY (US) 2020-09-08 US disclosed
US-10173945-B1 Nanocomposite for combustion applications nanoMetallix LLC (US) 2019-01-08 US disclosed
US-8444783-B1 3,3,7,7-tetrakis(difluoramino)octahydro-1,5-diazocinium salts UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY 2013-05-21 US disclosed
US-8221566-B1 Process for employing HNFX as a biocidal explosive THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2012-07-17 US disclosed
US-8008527-B1 Octafluoropentaerythrityltetramine (octafluoro-peta) and process for its preparation THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2011-08-30 US disclosed
US-7632943-B1 Method for making 3,3,7,7-tetrakis(difluoramino)octahydro-1,5-dinitro-1,5-diazocine (HNFX) THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2009-12-15 US disclosed
US-7632943-B1 Method for making 3,3,7,7-tetrakis(difluoramino)octahydro-1,5-dinitro-1,5-diazocine (HNFX) THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2009-12-15 US disclosed
US-7632943-B1 Method for making 3,3,7,7-tetrakis(difluoramino)octahydro-1,5-dinitro-1,5-diazocine (HNFX) THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2009-12-15 US disclosed
US-7563889-B1 3,3,7,7,-tetrakis(difluoramino)octahydro-1,5-diazocinium salts and method for making the same THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2009-07-21 US disclosed
US-7563889-B1 3,3,7,7,-tetrakis(difluoramino)octahydro-1,5-diazocinium salts and method for making the same THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2009-07-21 US disclosed
US-6562985-B2 Geminal-dinitro-1-5 diazocine derivatives THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY 2003-05-13 US disclosed
US-20020161248-A1 Geminal-dinitro-1-5 diazocine derivatives CHAPMAN ROBERT DALE (US) 2002-10-31 US disclosed
US-6417355-B1 EXPLOSIVES, PROPELLANT OXIDIZERS; FLUOROAMINATION, NITRATION, SULFONYLATION THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY 2002-07-09 US disclosed
US-6395899-B2 PREPARING CYCLIC 2,2-BIS(DIFLUORAMINO)-N,N'-DINITRO-1,3-PROPANEDIAMINE VIA REACTING WITH FORMALDEHYDE OR GLYOXAL; PRODUCING 5,5-BIS(DIFLUORAMINO)HEXAHYDRO-1,3-DINITROPYRIMIDINE (RNFX); FOR EXPLOSIVES, PROPELLANTS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY 2002-05-28 US disclosed
US-20020007063-A1 Preparing cyclic 2,2-bis(difluoramino)-N,N'-dinitro-1,3-propanediamine via reacting with formaldehyde or glyoxal; producing 5,5-bis(difluoramino)hexahydro-1,3-dinitropyrimidine (RNFX); for explosives, propellants CHAPMAN ROBERT DALE (US) 2002-01-17 US disclosed
US-6310204-B1 5,5-bis(difluoramino)hexahydro-1,3-dinitropyrimidine (RNFX) and certain electronegatively substituted pyrimidines THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY 2001-10-30 US 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 (2 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-20020007063-A1 Preparing cyclic 2,2-bis(difluoramino)-N,N'-dinitro-1,3-propanediamine via reacting with formaldehyde or glyoxal; producing 5,5-bis(difluoramino)hexahydro-1,3-dinitropyrimidine (RNFX); for explosives, propellants RNF5, RNF168, RBX1 GAA 4491/4885
US-20020161248-A1 Geminal-dinitro-1-5 diazocine derivatives TNF, TNFRSF1A, AOX1 GAA 874/4885

“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.