SCHEMBL1700892

SCHEMBL1700892

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

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
ALDH1A1 P00352 3/20 0.39
TSHR P16473 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
CA5A P35218 1/20 0.35
CA5B Q9Y2D0 1/20 0.35

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
Formic Acid SCHEMBL7454507 0.89 LMNA (0.50) LMNAALDH1A1TSHRTDP1
Sulfuric Acid SCHEMBL1700969 0.89 LMNA (0.44) LMNAALDH1A1TSHRTDP1CA5A
Sulfurous Acid SCHEMBL1700987 0.89 LMNA (0.44) LMNAALDH1A1TSHRTDP1
SCHEMBL9149729 0.88 LMNA (0.48) LMNAALDH1A1TSHRTDP1CA5A
SCHEMBL10899357 0.83 LMNA (0.44) LMNAALDH1A1TSHRTDP1
SCHEMBL12073749 0.83 LMNA (0.44) LMNAALDH1A1TSHRTDP1
SCHEMBL1701296 0.83 LMNA (0.44) LMNAALDH1A1TSHRTDP1
SCHEMBL9146022 0.81 LMNA (0.42) LMNAALDH1A1TSHRTDP1
SCHEMBL10417534 0.79 LMNA (0.41) LMNAALDH1A1TSHR
Nitric Acid SCHEMBL10955334 0.79 LMNA (0.41) LMNAALDH1A1TSHRCA5ACA5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114539012-A Composite energetic plasticizer suitable for GAP-based casting explosive and propellant and preparation method and application thereof 北京理工大学 2022-05-27 CN claimed
US-10696786-B2 Methods of producing energetic polymers, energetic binders, and energetic compositions Northrop Grumman Innovation Systems, Inc. (US) 2020-06-30 US claimed
US-20160168317-A1 METHODS OF PRODUCING ENERGETIC POLYMERS, ENERGETIC BINDERS, AND ENERGETIC COMPOSITIONS NORTHROP GRUMMAN SYSTEMS CORPORATION 2016-06-16 US claimed
US-8841468-B2 Synthesis of an azido energetic alcohol PHYSICAL SCIENCES, INC. (US) 2014-09-23 US claimed
WO-2011162859-A1 SYNTHESIS OF AN AZIDO ENERGETIC ALCOHOL PHYSICAL SCIENCES, INC. (US) 2011-12-29 WO claimed
US-20110319643-A1 Synthesis of an Azido Energetic Alcohol PHYSICAL SCIENCES, INC. (US) 2011-12-29 US claimed
US-5741998-A Propellant formulations based on dinitramide salts and energetic binders THIOKOL CORPORATION (US) 1998-04-21 US claimed
EP-0614862-A1 High-density insensitive explosives ROCKWELL INTERNATIONAL CORPORATION (US) 1994-09-14 EP claimed
US-4424398-A NITROALKYL ETHERS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1984-01-03 US claimed
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 claimed
CN-114539012-A Composite energetic plasticizer suitable for GAP-based casting explosive and propellant and preparation method and application thereof 北京理工大学 2022-05-27 CN disclosed
US-10696786-B2 Methods of producing energetic polymers, energetic binders, and energetic compositions Northrop Grumman Innovation Systems, Inc. (US) 2020-06-30 US disclosed
US-10696786-B2 Methods of producing energetic polymers, energetic binders, and energetic compositions Northrop Grumman Innovation Systems, Inc. (US) 2020-06-30 US disclosed
CN-109896959-A The preparation method of the fluoro- 2,2- dinitro ethyl alcohol of 2- 南京理工大学 2019-06-18 CN disclosed
US-20160168317-A1 METHODS OF PRODUCING ENERGETIC POLYMERS, ENERGETIC BINDERS, AND ENERGETIC COMPOSITIONS NORTHROP GRUMMAN SYSTEMS CORPORATION 2016-06-16 US disclosed
US-4400707-A Recording medium HITACHI, LTD. (JP) 1983-08-23 US disclosed
US-4346222-A OXIDIZER IN EXPLOSIVE AND ROCKET PROPELLANT COMPOSITIONS SRI INTERNATIONAL (US) 1982-08-24 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
EP-0046413-A2 Recording medium Hitachi, Ltd. (JP) 1982-02-24 EP 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

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 4793/4885ALDH1A1 36/4885TSHR 2520/4885

“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.