SCHEMBL3287326

SCHEMBL3287326

CCOCC(COCC)[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
TSHR P16473 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
SCHEMBL9452597 0.80 ALDH1A1 (0.42) ALDH1A1TSHR
SCHEMBL11428145 0.76
SCHEMBL9452640 0.73 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL6336937 0.70 ALDH1A1 (0.42) ALDH1A1
SCHEMBL18403730 0.70 ALDH1A1 (0.38) ALDH1A1TSHR
Ether SCHEMBL27596843 0.69 TSHR (0.44) ALDH1A1TSHR
Ether SCHEMBL6243328 0.69
Ether SCHEMBL29265951 0.69 TSHR (0.44) ALDH1A1TSHR
SCHEMBL1170405 0.69
SCHEMBL9508813 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7713401-B2 Methods for performing electrochemical nitration reactions BATTELLE ENERGY ALLIANCE, LLC (US) 2010-05-11 US claimed
US-20090038953-A1 METHODS FOR PERFORMING ELECTROCHEMICAL NITRATION REACTIONS ENERGY, UNITED STATES DEPARTMENT OF 2009-02-12 US claimed
WO-2009020798-A1 METHODS FOR PERFORMING ELECTROCHEMICAL NITRATION REACTIONS BATTELLE ENERGY ALLIANCE, LLC (US) 2009-02-12 WO claimed
US-12281398-B2 Microfluidic process for the general electrochemical synthesis of geminal dipseudohalide or halide-pseudohalide compounds UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2025-04-22 US disclosed
US-20240218528-A1 Microfluidic Process for the General Electrochemical Synthesis of Geminal Dipseudohalide or Halide-Pseudohalide Compounds THE GOVERNMENT OF THE UNITED STATES AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE 2024-07-04 US disclosed
US-11926911-B2 Microfluidic process for the general electrochemical synthesis of geminal dipseudohalide or halide-pseudohalide compounds UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2024-03-12 US disclosed
US-20230250540-A1 Microfluidic Process for the General Electrochemical Synthesis of Geminal Dipseudohalide or Halide-Pseudohalide Compounds THE GOVERNMENT OF THE UNITED STATES AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE 2023-08-10 US disclosed
US-7713401-B2 Methods for performing electrochemical nitration reactions BATTELLE ENERGY ALLIANCE, LLC (US) 2010-05-11 US disclosed
US-20090038953-A1 METHODS FOR PERFORMING ELECTROCHEMICAL NITRATION REACTIONS ENERGY, UNITED STATES DEPARTMENT OF 2009-02-12 US disclosed
WO-2009020798-A1 METHODS FOR PERFORMING ELECTROCHEMICAL NITRATION REACTIONS BATTELLE ENERGY ALLIANCE, LLC (US) 2009-02-12 WO disclosed