⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2637366 | 0.86 | — | — | |
| SCHEMBL6993843 | 0.78 | — | — | |
| SCHEMBL19382252 | 0.70 | — | — | |
| SCHEMBL15513850 | 0.65 | — | — | |
| SCHEMBL18076018 | 0.63 | — | — | |
| SCHEMBL924241 | 0.63 | — | — | |
| SCHEMBL8575865 | 0.63 | — | — | |
| SCHEMBL2591738 | 0.63 | — | — | |
| SCHEMBL1485897 | 0.63 | — | — | |
| SCHEMBL4477480 | 0.63 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6723890-B2 | ESPECIALLY FOR CHEMICAL WARFARE AND BIOLOGICAL WARFARE AGENTS. | SANDIA CORPORATION | 2004-04-20 | — | — | US | disclosed |
| WO-2003053333-A2 | CONCENTRATED FRORMULATIONS AND METHODS FOR NEUTRALIZING CHEMICAL AND BIOLOGICAL TOXANTS | SANDIA CORPORATION (US) | 2003-07-03 | — | — | WO | disclosed |
| US-6566574-B1 | Especially chemical and biological weapons agents; both a cationic quaternary ammonium surfactant and a cationic hydrotrope as solubilizing compounds, and at least one at least one nucleophilic or oxidizing reactive compound | SANDIA CORPORATION | 2003-05-20 | — | — | US | disclosed |
| US-20030060517-A1 | Concentrated formulations and methods for neutralizing chemical and biological toxants | NATIONAL TECHNOLOGY & ENGINEERING SOLUTIONS OF SANDIA, LLC | 2003-03-27 | — | — | US | disclosed |
| WO-2002002192-A1 | FORMULATIONS FOR NEUTRALIZATION OF CHEMICAL AND BIOLOGICAL TOXANTS | SANDIA CORPORATION (US) | 2002-01-10 | — | — | WO | disclosed |
| EP-1166825-A1 | Formulations for neutralization of chemical and biological toxants | Sandia Corporation (US) | 2002-01-02 | — | — | EP | disclosed |