⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6869980 | 0.97 | — | — | |
| SCHEMBL4907274 | 0.80 | — | — | |
| SCHEMBL3111660 | 0.79 | ALDH1A1 (0.37) | — | |
| SCHEMBL78756 | 0.75 | ALDH1A1 (0.39) | — | |
| Acetic Acid SCHEMBL29074702 | 0.74 | FFAR3 (0.39) | — | |
| SCHEMBL2410036 | 0.71 | ALDH1A1 (0.35) | — | |
| Acetic Acid SCHEMBL30741418 | 0.70 | CA1 (0.45) | — | |
| Bicarbonate SCHEMBL7103822 | 0.70 | ALDH1A1 (0.47) | — | |
| Bicarbonate SCHEMBL7771639 | 0.70 | ALDH1A1 (0.47) | — | |
| SCHEMBL25442 | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8022265-B2 | Reduced weight decontamination formulation utilizing a solid peracid compound for neutralization of chemical and biological warfare agents | SANDIA CORPORATION (US) | 2011-09-20 | — | — | US | claimed |
| US-20090291151-A1 | Reduced Weight Decontamination Formulation Utilizing a Solid Peracid Compound for Neutralization of Chemical and Biological Warfare Agents | NATIONAL TECHNOLOGY & ENGINEERING SOLUTIONS OF SANDIA, LLC | 2009-11-26 | — | — | US | claimed |
| US-8022265-B2 | Reduced weight decontamination formulation utilizing a solid peracid compound for neutralization of chemical and biological warfare agents | SANDIA CORPORATION (US) | 2011-09-20 | — | — | US | disclosed |
| US-8022265-B2 | Reduced weight decontamination formulation utilizing a solid peracid compound for neutralization of chemical and biological warfare agents | SANDIA CORPORATION (US) | 2011-09-20 | — | — | US | disclosed |
| US-20090291151-A1 | Reduced Weight Decontamination Formulation Utilizing a Solid Peracid Compound for Neutralization of Chemical and Biological Warfare Agents | NATIONAL TECHNOLOGY & ENGINEERING SOLUTIONS OF SANDIA, LLC | 2009-11-26 | — | — | US | disclosed |
| US-20090291151-A1 | Reduced Weight Decontamination Formulation Utilizing a Solid Peracid Compound for Neutralization of Chemical and Biological Warfare Agents | NATIONAL TECHNOLOGY & ENGINEERING SOLUTIONS OF SANDIA, LLC | 2009-11-26 | — | — | US | disclosed |