SCHEMBL2728056

SCHEMBL2728056

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

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
PTGS2 P35354 2/20 0.33
CA5A P35218 1/20 0.30
CA5B Q9Y2D0 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
SCHEMBL12880239 0.89 ALDH1A1 (0.34) ALDH1A1
SCHEMBL9420277 0.87 ALDH1A1 (0.37) ALDH1A1PTGS2
SCHEMBL62389 0.87
SCHEMBL10911878 0.87
SCHEMBL15668736 0.85
SCHEMBL11580369 0.85
Nitric Acid SCHEMBL15562819 0.84 CA5A (0.35) ALDH1A1CA5ACA5B
Nitric Acid SCHEMBL44182 0.84 CA5A (0.35) ALDH1A1CA5ACA5B
SCHEMBL7919622 0.84 THRB (0.39) ALDH1A1
Nitric Acid SCHEMBL7262025 0.84 CA5A (0.35) ALDH1A1CA5ACA5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117650279-A Nonaqueous electrolyte and lithium metal battery 蜂巢能源科技股份有限公司 2024-03-05 CN claimed
CN-114585356-A Methods of preventing or treating diseases associated with VEGFR and/or VEGF inhibition 上海岸阔医药科技有限公司 2022-06-03 CN claimed
WO-2021073535-A1 METHOD FOR PREVENTING OR TREATING DISEASES ASSOCIATED WITH ADMINISTRATION OF VEGFR AND/OR VEGF INHIBITOR 上海岸阔医药科技有限公司 2021-04-22 WO claimed
US-10562873-B1 Methods of producing glycidyl nitrate Northrop Grumman Innovation Systems, Inc. (US) 2020-02-18 US claimed
US-6870061-B2 Continuous process and system for production of glycidyl nitrate from glycerin, nitric acid and caustic and conversion of glycidyl nitrate to poly(glycidyl nitrate) ALLIANT TECHSYSTEMS INC. (US) 2005-03-22 US claimed
US-20040138481-A1 Continuous process and system for production of glycidyl nitrate from glycerin, nitric acid and caustic and conversion of glycidyl nitrate to poly(glycidyl nitrate) NORTHROP GRUMMAN SYSTEMS CORPORATION 2004-07-15 US claimed
WO-2001002336-A1 PROCESS FOR THE PRODUCTION OF GLYCEROL DINITRATES QINETIQ LIMITED (GB) 2001-01-11 WO claimed
US-20250270178-A1 METHODS OF PRODUCING A NITRATE ESTER NORTHROP GRUMMAN SYSTEMS CORPORATION 2025-08-28 US disclosed
US-20240415795-A1 TOPICAL FORMULATIONS OF NITROGLYCERIN PERMEATUS, INC. 2024-12-19 US disclosed
US-12070440-B2 Topical formulations of nitroglycerin PERMEATUS, INC. (US) 2024-08-27 US disclosed
CN-117650279-A Nonaqueous electrolyte and lithium metal battery 蜂巢能源科技股份有限公司 2024-03-05 CN disclosed
WO-2024006305-A1 TOPICAL FORMULATIONS OF NITROGLYCERIN PERMEATUS, INC. (US) 2024-01-04 WO disclosed
US-20230414551-A1 TOPICAL FORMULATIONS OF NITROGLYCERIN PERMEATUS, INC. 2023-12-28 US disclosed
US-6245576-B1 ANALYZING SAMPLES FOR ENERGETIC MATERIALS; BY HEATING SAMPLES IN CHAMBER UNDER PRESSURE AND DETECTING CHEMILUMINESCENT EMISSION THE SECRETARY OF STATE FOR DEFENCE IN HER BRITTANIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND OF DEFENCE EVALUATION RESEARCH AGENCY (GB) 2001-06-12 US disclosed
WO-2001029111-A1 POLYMERIZATION OF POLY(GLYCIDYL NITRATE) FROM HIGH PURITY GLYCIDYL NITRATE SYNTHESIZED FROM GLYCEROL ALLIANT TECHSYSTEMS INC. (US) 2001-04-26 WO disclosed
US-6180664-B1 CARDIOVASCUALR DISORDERS; IMPOTENCY ISIS PHARMA GMBH (DE) 2001-01-30 US disclosed
WO-2001002336-A1 PROCESS FOR THE PRODUCTION OF GLYCEROL DINITRATES QINETIQ LIMITED (GB) 2001-01-11 WO disclosed
EP-0904531-A1 METHOD OF EXPLOSIVES DETECTION THE SECRETARY OF STATE FOR DEFENCE (GB) 1999-03-31 EP disclosed
WO-1997047958-A1 METHOD OF EXPLOSIVES DETECTION THE SECRETARY OF STATE FOR DEFENCE (GB) 1997-12-18 WO disclosed
US-5625083-A VASODILATORS, ANTIHYPERTENSIVE AGENTS, BRONCHODILATORS MANEVICH, YEFIM 1997-04-29 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 (3 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-10562873-B1 Methods of producing glycidyl nitrate GMPS, GK, GAPDH ALDH1A1 968/4885PTGS2 33/4885CA5A 829/4885
US-20250270178-A1 METHODS OF PRODUCING A NITRATE ESTER NOS2, NOS3, NOS1 ALDH1A1 389/4885PTGS2 359/4885CA5A 616/4885
US-20040138481-A1 Continuous process and system for production of glycidyl nitrate from glycerin, nitric acid and caustic and conversion of glycidyl nitrate to poly(glycidyl nitrate) GMNN, GLMN, GMPS ALDH1A1 1887/4885PTGS2 43/4885CA5A 541/4885

“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.