SCHEMBL1700919

SCHEMBL1700919

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

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
TSHR P16473 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
CA5A P35218 1/20 0.32
CA5B Q9Y2D0 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
SCHEMBL11287209 0.74
SCHEMBL5025852 0.73 LMNA (0.50) LMNATSHRALDH1A1TDP1CA5A
SCHEMBL9806230 0.71 TSHR (0.40) LMNATSHRALDH1A1TDP1CA5A
Nitromethane SCHEMBL1532315 0.69 TSHR (0.32) TSHRCA5ACA5B
SCHEMBL9979299 0.69 LMNA (0.40) LMNATSHRALDH1A1TDP1CA5A
SCHEMBL10349043 0.67 LMNA (0.44) LMNATSHRALDH1A1TDP1
SCHEMBL10577516 0.67 TSHR (0.37) LMNATSHRALDH1A1TDP1
SCHEMBL11595886 0.67 TSHR (0.37) LMNATSHRALDH1A1TDP1
SCHEMBL9510521 0.67
SCHEMBL28457846 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110790719-B Fluorine dinitro ethylamino bifurazan compound and synthetic method thereof 南京理工大学 2022-10-14 CN claimed
CN-110790719-A Fluorine dinitro ethylamino bifurazan compound and synthetic method thereof 南京理工大学 2020-02-14 CN claimed
US-H1223-H Nitration of 1,2-dichlorodifluoroethylene; reaction with nitric acid; oxidation; reduction THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1993-08-03 US claimed
CN-110790719-B Fluorine dinitro ethylamino bifurazan compound and synthetic method thereof 南京理工大学 2022-10-14 CN disclosed
CN-110790719-A Fluorine dinitro ethylamino bifurazan compound and synthetic method thereof 南京理工大学 2020-02-14 CN disclosed
CN-110790719-A Fluorine dinitro ethylamino bifurazan compound and synthetic method thereof 南京理工大学 2020-02-14 CN disclosed
US-8841468-B2 Synthesis of an azido energetic alcohol PHYSICAL SCIENCES, INC. (US) 2014-09-23 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
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-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-4411838-A PROMOTER ADDITIVES FOR PROPELLANTS AND EXPLOSIVES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1983-10-25 US disclosed
US-4332744-A ENERGETIC ADDITIVES TO PROPELLANTS AND EXPLOSIVES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1982-06-01 US disclosed
US-4323518-A Polynitroethylthionocarbonates and method of preparation THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1982-04-06 US disclosed
US-4297152-A LIQUID MIXTURE OF BIS/2,2-DINITROPROPYL/ACETAL AND-/FORMAL AND BIS2,2,2-FLUORODINITROETHYL/FORMAL; ROCKETS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1981-10-27 US disclosed
US-4233249-A Method for the preparation of alkali metal salts of dinitromethane THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1980-11-11 US disclosed
US-4233250-A Process for synthesizing the alkali metal salts of dinetromethane THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1980-11-11 US disclosed
US-4141910-A PLASTICIZERS, OXIDIZERS ROCKWELL INTERNATIONAL CORPORATION (US) 1979-02-27 US disclosed
US-4139403-A Dinitroalkyl and fluorodinitroalkyl silicon compounds THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1979-02-13 US disclosed
US-4075246-A 1,3-Bis(2,2,2-fluorodinitroethoxy)-2,2-bis(difluoramino) propane THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1978-02-21 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 (1 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

“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.