⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL28197010 | 0.86 | — | — | |
| Ethane SCHEMBL28145652 | 0.84 | — | — | |
| SCHEMBL10417541 | 0.78 | — | — | |
| SCHEMBL28262790 | 0.78 | GSR (0.30) | — | |
| SCHEMBL18823724 | 0.78 | GSR (0.30) | — | |
| SCHEMBL10417542 | 0.75 | — | — | |
| SCHEMBL9176777 | 0.73 | ALDH1A1 (0.32) | — | |
| SCHEMBL877528 | 0.73 | ALDH1A1 (0.32) | — | |
| SCHEMBL3285800 | 0.71 | KCNA4 (0.43) | — | |
| SCHEMBL21090985 | 0.71 | — | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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-4594430-A | Synthesis of geminal dinitro compounds | UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) | 1986-06-10 | — | — | US | 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 |
| CN-117677614-A | Heterocyclic compound with AKT kinase inhibition activity, preparation method and medical application thereof | 中国医药研究开发中心有限公司 | 2024-03-08 | — | — | CN | 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 |
| WO-2023109540-A1 | HETEROCYCLIC COMPOUND WITH AKT KINASE INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF | 中国医药研究开发中心有限公司 | 2023-06-22 | — | — | WO | 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 |
| US-4910322-A | Synthesis of geminal dinitro compounds | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) | 1990-03-20 | — | — | US | disclosed |
| US-4774366-A | Synthesis of geminal dinitro compounds | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) | 1988-09-27 | — | — | US | disclosed |
| US-4594430-A | Synthesis of geminal dinitro compounds | UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) | 1986-06-10 | — | — | US | disclosed |