SCHEMBL1994684

SCHEMBL1994684

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

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.63
CRHR2 Q13324 1/20 0.63
GAA P10253 1/20 0.34
ALDH1A1 P00352 2/20 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
Hydrochloric Acid SCHEMBL9247859 0.98 CRHBP (0.61) CRHBPCRHR2GAAALDH1A1
Nitric Acid SCHEMBL8647053 0.94 CRHBP (0.57) CRHBPCRHR2GAAALDH1A1
Trifluoroacetic Acid SCHEMBL9251412 0.85 CRHBP (0.49) CRHBPCRHR2ALDH1A1
SCHEMBL25475858 0.83 CRHBP (0.50) CRHBPCRHR2GAA
SCHEMBL3476909 0.76 CRHBP (0.38) CRHBPCRHR2GAA
SCHEMBL9921596 0.72 GAA (0.38) CRHBPCRHR2GAAALDH1A1
Hydrochloric Acid SCHEMBL3737938 0.71 CRHBP (0.52) CRHBPCRHR2
SCHEMBL3739463 0.70 CRHBP (0.34) CRHBPCRHR2ALDH1A1
SCHEMBL29265156 0.68 CRHBP (0.34) CRHBPCRHR2GAA
SCHEMBL7248680 0.67 GAA (0.33) CRHBPCRHR2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2534131-B1 METHODS OF SYNTHESIZING AND ISOLATING N-(BROMOACETYL)-3,3-DINITROAZETIDINE AND A COMPOSITION INCLUDING THE SAME ALLIANT TECHSYSTEMS INC (US) 2014-03-19 EP claimed
US-8471041-B2 Methods of synthesizing and isolating N-(bromoacetyl)-3,3-dinitroazetidine and a composition including the same ALLIANT TECHSYSTEMS INC. (US) 2013-06-25 US claimed
EP-2534131-A1 METHODS OF SYNTHESIZING AND ISOLATING N-(BROMOACETYL)-3,3-DINITROAZETIDINE AND A COMPOSITION INCLUDING THE SAME ALLIANT TECHSYSTEMS INC. (US) 2012-12-19 EP claimed
US-8178698-B2 Methods of synthesizing cyclic nitro compounds ALLIANT TECHSYSTEMS INC. (US) 2012-05-15 US claimed
WO-2011100090-A1 METHODS OF SYNTHESIZING AND ISOLATING N-(BROMOACETYL)-3,3-DINITROAZETIDINE AND A COMPOSITION INCLUDING THE SAME ALLIANT TECHSYSTEMS INC. (US) 2011-08-18 WO claimed
US-20110195947-A1 METHODS OF SYNTHESIZING AND ISOLATING N-(BROMOACETYL)-3,3-DINITROAZETIDINE AND A COMPOSITION INCLUDING THE SAME ALLIANT TECHSYSTEMS INC. (US) 2011-08-11 US claimed
US-20110130572-A1 METHODS OF SYNTHESIZING CYCLIC NITRO COMPOUNDS ALLIANT TECHSYSTEMS INC. (US) 2011-06-02 US claimed
US-7745643-B2 chemical synthesizing a N-(haloacetyl)-3,3-dinitro-azetidine compound; anticarciogenic, antiinflammatory, antihypoxic, antidiabetic agent; cardiovascular and autoimmune disease; rheumatoid arthritis, diabetic retinopathy ALLIANT TECHSYSTEMS INC. (US) 2010-06-29 US claimed
US-20090093644-A1 METHODS OF SYNTHESIZING CYCLIC NITRO COMPOUNDS ALLIANT TECHSYSTEMS INC. (US) 2009-04-09 US claimed
US-5395945-A Salt formation, neutralization THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) 1995-03-07 US claimed
US-5336784-A Synthesis of 1,3,3-trinitroazetidine THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1994-08-09 US claimed
US-20250049756-A1 CYCLIC NITRO COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF AND USES THEREOF NORTHROP GRUMMAN SYSTEMS CORP (US) 2025-02-13 US disclosed
US-20240293360-A1 CRYSTALLINE ABDNAZ COMPOSITIONS AND METHODS OF MAKING AND USING THE SAME EPICENTRX, INC. 2024-09-05 US disclosed
CN-118561729-A Synthetic method and application of nitro cyclic compound 江南大学 2024-08-30 CN disclosed
EP-4351567-A1 CRYSTALLINE ABDNAZ COMPOSITIONS AND METHODS OF MAKING AND USING THE SAME EpicentRx, Inc. (US) 2024-04-17 EP disclosed
US-5824806-A Processes for preparing TNAZ THE UNITED STATES OF AMERICA AS REPRESENTED BY THE THE SECRETARY OF THE ARMY (US) 1998-10-20 US disclosed
US-5808099-A ADNAZ, compositions and processes THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1998-09-15 US disclosed
US-5395945-A Salt formation, neutralization THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) 1995-03-07 US disclosed
US-5395945-A Salt formation, neutralization THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) 1995-03-07 US disclosed
US-5336784-A Synthesis of 1,3,3-trinitroazetidine THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1994-08-09 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 (4 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-20240293360-A1 CRYSTALLINE ABDNAZ COMPOSITIONS AND METHODS OF MAKING AND USING THE SAME CRYZ, FASTKD5, DNAJA1 CRHBP 2505/4885CRHR2 3999/4885GAA 2481/4885
US-20110130572-A1 METHODS OF SYNTHESIZING CYCLIC NITRO COMPOUNDS NOS2, NOS1, NOS3 CRHBP 4205/4885CRHR2 3653/4885GAA 3578/4885
US-20090093644-A1 METHODS OF SYNTHESIZING CYCLIC NITRO COMPOUNDS NOS2, NOS1, NOS3 CRHBP 4205/4885CRHR2 3653/4885GAA 3578/4885
US-20250049756-A1 CYCLIC NITRO COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF AND USES THEREOF NOS1, NOS2, NOS3 CRHBP 4430/4885CRHR2 3865/4885GAA 3166/4885

“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.