SCHEMBL2548853

SCHEMBL2548853

CCCC(O[N+](=O)[O-])O[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
ALDH1A1 P00352 3/20 0.35
CYP3A4 P08684 2/20 0.33
NFKB1 P19838 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
GSR P00390 1/20 0.31

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
SCHEMBL28280677 0.88 TSHR (0.32) TSHRALDH1A1CYP3A4NFKB1NPSR1
SCHEMBL1147490 0.86 ATM (0.31) TSHRALDH1A1
SCHEMBL9951290 0.85 ALDH1A1 (0.42) TSHRALDH1A1CYP3A4
SCHEMBL1147499 0.84
SCHEMBL3286639 0.80
SCHEMBL8277384 0.78 ALDH1A1 (0.34) TSHRALDH1A1CYP3A4NFKB1NPSR1
SCHEMBL1829156 0.78
SCHEMBL2549645 0.78
SCHEMBL9951425 0.78 ALDH1A1 (0.42) TSHRALDH1A1GSR
SCHEMBL27607849 0.77 TSHR (0.31) TSHRALDH1A1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3041365-A1 USE OF A FEED COMPOSITION FOR REDUCING METHANE EMISSION IN RU-MINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP Assets B.V. (NL) 2016-07-13 EP claimed
WO-2015018726-A1 USE OF A FEED COMPOSITION FOR REDUCING METHANE EMISSION IN RU-MINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP ASSETS B.V. (NL) 2015-02-12 WO claimed
EP-2654455-A1 USE OF NITROOXY ORGANIC MOLECULES IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP Assets B.V. (NL) 2013-10-30 EP claimed
WO-2012084629-A1 USE OF NITROOXY ORGANIC MOLECULES IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP ASSETS B.V. (NL) 2012-06-28 WO claimed
US-20250270178-A1 METHODS OF PRODUCING A NITRATE ESTER NORTHROP GRUMMAN SYSTEMS CORPORATION 2025-08-28 US disclosed
WO-2024126430-A1 NEW METHOD FOR SUSTAINABLE MANURE MANAGEMENT DSM IP ASSETS B.V. (NL) 2024-06-20 WO disclosed
EP-3806653-A1 CONTINUOUS PRODUCTION OF AN ADSORPTION PRODUCT OF A NITROOXY-FUNCTIONAL ORGANIC COMPOUND DSM IP Assets B.V. (NL) 2021-04-21 EP disclosed
WO-2020011992-A1 CONTINUOUS PRODUCTION OF AN ADSORPTION PRODUCT OF A NITROOXY-FUNCTIONAL ORGANIC COMPOUND DSM IP ASSETS B.V. (NL) 2020-01-16 WO disclosed
CN-105503732-B For absorbing SO2Double imidazole ion liquids of ether and preparation method thereof and application method 河北科技大学 2018-08-10 CN disclosed
EP-3041365-A1 USE OF A FEED COMPOSITION FOR REDUCING METHANE EMISSION IN RU-MINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP Assets B.V. (NL) 2016-07-13 EP disclosed
WO-2015018726-A1 USE OF A FEED COMPOSITION FOR REDUCING METHANE EMISSION IN RU-MINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP ASSETS B.V. (NL) 2015-02-12 WO disclosed
EP-2654455-A1 USE OF NITROOXY ORGANIC MOLECULES IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP Assets B.V. (NL) 2013-10-30 EP disclosed
WO-2012084629-A1 USE OF NITROOXY ORGANIC MOLECULES IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP ASSETS B.V. (NL) 2012-06-28 WO disclosed
WO-2011120695-A1 PROCESS FOR THE PRODUCTION OF ESTERS OF NITRIC ACID LONZA LTD (CH) 2011-10-06 WO disclosed
US-4853157-A Process for the manufacture of nitric acid esters AECI LIMITED (ZA) 1989-08-01 US disclosed
EP-0129995-B1 A PROCESS FOR THE MANUFACTURE OF NITRIC ACID ESTERS AECI LIMITED (ZA) 1987-05-13 EP disclosed
US-4536190-A MIXTURE OF NITRIC ACID ESTERS OF BI(OR TRI-)=CYCLIC ALCOHOLS AND ORGANIC NITRATES ETHYL CORPORATION (US) 1985-08-20 US disclosed
EP-0129995-A2 A process for the manufacture of nitric acid esters AECI LIMITED (ZA) 1985-01-02 EP disclosed
US-4473378-A BLEND OF ALKYL NITRATE AND CETANE IMPROVER ETHYL CORPORATION (US) 1984-09-25 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-20250270178-A1 METHODS OF PRODUCING A NITRATE ESTER NOS2, NOS3, NOS1 TSHR 3215/4885ALDH1A1 389/4885CYP3A4 112/4885

“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.