SCHEMBL1701296

SCHEMBL1701296

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

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
TSHR P16473 3/20 0.36
ALDH1A1 P00352 3/20 0.33
TDP1 Q9NUW8 2/20 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
Nitric Acid SCHEMBL10955334 0.95 LMNA (0.41) LMNATSHRALDH1A1
SCHEMBL1700892 0.83 LMNA (0.52) LMNATSHRALDH1A1TDP1
SCHEMBL9452595 0.83 TSHR (0.44) LMNATSHRALDH1A1TDP1
SCHEMBL11069420 0.80 LMNA (0.41) LMNATSHRALDH1A1
SCHEMBL9149729 0.78 LMNA (0.48) LMNATSHRALDH1A1TDP1
SCHEMBL1117414 0.74 LMNA (0.44) LMNATSHRALDH1A1TDP1
Sulfuric Acid SCHEMBL1700969 0.74 LMNA (0.44) LMNATSHRALDH1A1TDP1
SCHEMBL6533356 0.74 LMNA (0.44) LMNATSHRALDH1A1TDP1
SCHEMBL10899357 0.74 LMNA (0.44) LMNATSHRALDH1A1TDP1
SCHEMBL12073749 0.74 LMNA (0.44) LMNATSHRALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6620268-B2 Prevention crystallization; storage stable mixture containing bis(2,2,-dinitropropyl)(di)formal AGENCY FOR DEFENSE DEVELOPMENT (KR) 2003-09-16 US claimed
US-20010030009-A1 Energetic plasticizer comprising eutetic mixture of bis (2,2-dinitropropyl) formal, 2,2-dinitropropyl 2,2-dinitrobutyl formal and bis (2,2-dinitrobutyl) formal, and preparation method thereof AGENCY FOR DEFENSE DEVELOPMENT (KR) 2001-10-18 US claimed
US-4426540-A Synthesis of vinyl ethers THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1984-01-17 US claimed
US-8841468-B2 Synthesis of an azido energetic alcohol PHYSICAL SCIENCES, INC. (US) 2014-09-23 US disclosed
US-8841468-B2 Synthesis of an azido energetic alcohol PHYSICAL SCIENCES, INC. (US) 2014-09-23 US disclosed
US-8318959-B1 Synthesis and polymerization of glycidyl ethers FLUROCHEM, INC. (US) 2012-11-27 US disclosed
WO-2011162859-A1 SYNTHESIS OF AN AZIDO ENERGETIC ALCOHOL PHYSICAL SCIENCES, INC. (US) 2011-12-29 WO disclosed
US-20110319643-A1 Synthesis of an Azido Energetic Alcohol PHYSICAL SCIENCES, INC. (US) 2011-12-29 US disclosed
US-20110319643-A1 Synthesis of an Azido Energetic Alcohol PHYSICAL SCIENCES, INC. (US) 2011-12-29 US disclosed
US-8002916-B2 Energetic plasticizer for explosive charges RAFAEL ADVANCED DEFENSE SYSTEMS LTD. (IL) 2011-08-23 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
WO-2006025047-A2 ENERGETIC PLASTICIZER FOR EXPLOSIVE CHARGES RAFAEL ARMAMENT DEVELOPMENT AUTHORITY LTD. (IL) 2006-03-09 WO disclosed
US-6620268-B2 Prevention crystallization; storage stable mixture containing bis(2,2,-dinitropropyl)(di)formal AGENCY FOR DEFENSE DEVELOPMENT (KR) 2003-09-16 US disclosed
US-6620268-B2 Prevention crystallization; storage stable mixture containing bis(2,2,-dinitropropyl)(di)formal AGENCY FOR DEFENSE DEVELOPMENT (KR) 2003-09-16 US disclosed
US-6592692-B2 Prevention crystallization; storage stable mixture containing bis(2,2,-dinitropropyl)(di)formal AGENCY FOR DEFENSE DEVELOPMENT (KR) 2003-07-15 US disclosed
US-20010030009-A1 Energetic plasticizer comprising eutetic mixture of bis (2,2-dinitropropyl) formal, 2,2-dinitropropyl 2,2-dinitrobutyl formal and bis (2,2-dinitrobutyl) formal, and preparation method thereof AGENCY FOR DEFENSE DEVELOPMENT (KR) 2001-10-18 US disclosed
US-20010030008-A1 Energetic plasticizer comprising bis(2,2-dinitropropyl) formal and bis(2,2-dinitropropyl) diformal, and preparation method thereof AGENCY FOR DEFENSE DEVELOPMENT (KR) 2001-10-18 US disclosed
US-20010030009-A1 Energetic plasticizer comprising eutetic mixture of bis (2,2-dinitropropyl) formal, 2,2-dinitropropyl 2,2-dinitrobutyl formal and bis (2,2-dinitrobutyl) formal, and preparation method thereof AGENCY FOR DEFENSE DEVELOPMENT (KR) 2001-10-18 US disclosed
US-4997499-A Bis (dinitropropyl) formal/dinitrobutyl dinitropropyl formal plasticizer THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1991-03-05 US disclosed
US-4426540-A Synthesis of vinyl ethers THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1984-01-17 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-20110319643-A1 Synthesis of an Azido Energetic Alcohol ADH1A, ADH1C, STS LMNA 4793/4885TSHR 2520/4885ALDH1A1 36/4885
US-20090216049-A1 Process and intermediates for the production of BDNPA and BDNPF and other bis(dinitroalkyl)acetals and formals NPPA, NCF1, NOS2 LMNA 571/4885TSHR 3933/4885ALDH1A1 88/4885

“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.