⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL215024 | 0.82 | — | — | |
| Perchlorate SCHEMBL1478700 | 0.78 | — | — | |
| Perchlorate SCHEMBL30603825 | 0.78 | — | — | |
| Water SCHEMBL5014877 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL442651 | 0.78 | — | — | |
| SCHEMBL28150654 | 0.78 | — | — | |
| Perchlorate SCHEMBL6260971 | 0.71 | — | — | |
| SCHEMBL2799985 | 0.70 | — | — | |
| Bicarbonate SCHEMBL686605 | 0.69 | ACHE (0.40) | — | |
| Nitrous Acid SCHEMBL687168 | 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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0950647-B1 | Gas generating composition for air bag | DAICEL CHEM (JP) | 2003-04-09 | — | — | EP | claimed |
| US-6468369-B1 | GUANIDINE DERIVATIVE, PHASE STABILIZED AMMONIUM NITRATE AND SILICON COMPOUND; IMPROVED COMBUSTION BEHAVIOR, ENHANCED HANDLING SAFETY | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2002-10-22 | — | — | US | claimed |
| EP-0950647-A1 | Gas generating composition for air bag | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1999-10-20 | — | — | EP | claimed |
| JP-11314992-A | — | — | None | — | — | JP | disclosed |
| US-20120261040-A1 | GAS-GENERATING AGENT COMPOSITION | DAICEL CORPORATION (JP) | 2012-10-18 | — | — | US | disclosed |
| EP-0950647-B1 | Gas generating composition for air bag | DAICEL CHEM (JP) | 2003-04-09 | — | — | EP | disclosed |
| US-6468369-B1 | GUANIDINE DERIVATIVE, PHASE STABILIZED AMMONIUM NITRATE AND SILICON COMPOUND; IMPROVED COMBUSTION BEHAVIOR, ENHANCED HANDLING SAFETY | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2002-10-22 | — | — | US | disclosed |
| JP-H11314992-A | GAS GENERATOR COMPOSITION | DAICEL CHEM IND LTD | 1999-11-16 | — | — | JP | disclosed |
| EP-0950647-A1 | Gas generating composition for air bag | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1999-10-20 | — | — | EP | disclosed |