SCHEMBL462502

SCHEMBL462502

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

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.39
PTGS2 P35354 4/20 0.37
PTGS1 P23219 2/20 0.37
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL220160 1.00 GSR (0.39) GSRPTGS2PTGS1ALDH1A1
SCHEMBL221241 1.00 GSR (0.39) GSRPTGS2PTGS1ALDH1A1
Water SCHEMBL23421028 0.98 GSR (0.38) GSRPTGS2PTGS1ALDH1A1
Ethylene SCHEMBL6857284 0.96 GSR (0.37) GSRPTGS2PTGS1ALDH1A1
SCHEMBL7611153 0.94 GSR (0.36) GSRPTGS2PTGS1ALDH1A1
Ether SCHEMBL23111929 0.89 PTGS2 (0.36) GSRPTGS2PTGS1
Nitroglycerin SCHEMBL15421 0.86 PTGS2 (0.40) GSRPTGS2PTGS1ALDH1A1
Nitroglycerin SCHEMBL920644 0.86 PTGS2 (0.40) GSRPTGS2PTGS1ALDH1A1
Nitroglycerin SCHEMBL9348180 0.86 PTGS2 (0.38) GSRPTGS2PTGS1ALDH1A1
Nitroglycerin SCHEMBL28125007 0.85 PTGS2 (0.42) GSRPTGS2PTGS1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260110607-A1 TRANSPORT AND DETECTION OF EXPLOSIVE SAMPLES WITH MINIMIZED FALSE POSITIVES ALTI LLC (US) 2026-04-23 US claimed
US-12517047-B2 Transport and detection of explosive samples ALTI LLC (US) 2026-01-06 US claimed
US-20250270178-A1 METHODS OF PRODUCING A NITRATE ESTER NORTHROP GRUMMAN SYSTEMS CORPORATION 2025-08-28 US claimed
US-20250237601-A1 TRANSPORT AND DETECTION OF EXPLOSIVE SAMPLES ALTI LLC 2025-07-24 US claimed
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
US-20230355500-A1 TOPICAL COMPOSITION LILIGER LTD (IL) 2023-11-09 US claimed
US-20230183198-A1 METHODS OF PRODUCING GLYCIDYL NITRATE AND RELATED SYSTEMS NORTHROP GRUMMAN SYSTEMS CORPORATION 2023-06-15 US 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
CN-113181268-A Combined composition for resisting myocardial infarction 李开桥 2021-07-30 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
JP-3211892-B2 2001-09-25 JP claimed
WO-2001002336-A1 PROCESS FOR THE PRODUCTION OF GLYCEROL DINITRATES QINETIQ LIMITED (GB) 2001-01-11 WO claimed
EP-1051972-A1 Nitric oxide donor composition and method for treatment of anal disorders Cellegy Pharmaceuticals, Inc (US) 2000-11-15 EP claimed
WO-2000051978-A1 NITROSATED AND NITROSYLATED PROSTAGLANDINS, COMPOSITIONS AND METODS OF USE NITROMED, INC. (US) 2000-09-08 WO claimed
EP-0719145-B1 NITRIC OXIDE DONOR COMPOSITION FOR TREATMENT OF ANAL DISORDERS CELLEGY PHARMA INC (US) 2000-09-06 EP claimed
EP-0719145-A4 NITRIC OXIDE DONOR COMPOSITION AND METHOD FOR TREATMENT OF ANAL DISORDERS CELLEGY PHARMA INC (US) 1999-01-20 EP claimed
US-5693676-A USING NITROGLYCERIN TO TREAT ANAL FISSURES OR ULCERS, HEMORRHOIDS, LEVATOR SPASMS NEPTUNE PHARMACEUTICAL CORPORATION (US) 1997-12-02 US claimed
EP-0719145-A1 NITRIC OXIDE DONOR COMPOSITION AND METHOD FOR TREATMENT OF ANAL DISORDERS NEPTUNE PHARMACEUTICAL CORPORATION (US) 1996-07-03 EP claimed
WO-1995032715-A1 NITRIC OXIDE DONOR COMPOSITION AND METHOD FOR TREATMENT OF ANAL DISORDERS NEPTUNE PHARMACEUTICAL CORPORATION (US) 1995-12-07 WO claimed
US-3977922-A NITRO COMPOUNDS IN THERMOSETTING RESINS NIPPON OILS AND FATS COMPANY LIMITED (JA) 1976-08-31 US claimed

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-20230183198-A1 METHODS OF PRODUCING GLYCIDYL NITRATE AND RELATED SYSTEMS GMPS, PTGIS, GK GSR 62/4885PTGS2 12/4885PTGS1 17/4885
US-20260110607-A1 TRANSPORT AND DETECTION OF EXPLOSIVE SAMPLES WITH MINIMIZED FALSE POSITIVES TES, TNPO1, SLC2A1 GSR 202/4885PTGS2 394/4885PTGS1 370/4885
US-20250270178-A1 METHODS OF PRODUCING A NITRATE ESTER NOS2, NOS3, NOS1 GSR 94/4885PTGS2 359/4885PTGS1 194/4885
US-20230355500-A1 TOPICAL COMPOSITION NOS1, NOS3, NOS2 GSR 636/4885PTGS2 198/4885PTGS1 109/4885

“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.