⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL686396 | 0.76 | — | — | |
| Nitric Acid SCHEMBL3779829 | 0.72 | CA5A (0.40) | — | |
| Nitric Acid SCHEMBL7461340 | 0.67 | CA5A (0.47) | — | |
| Nitric Acid SCHEMBL332649 | 0.67 | CA5A (0.47) | — | |
| SCHEMBL20268967 | 0.67 | — | — | |
| SCHEMBL6260275 | 0.65 | NOS3 (0.32) | — | |
| SCHEMBL2519792 | 0.61 | NOS3 (0.36) | — | |
| Ammonia Solution, Strong SCHEMBL5859448 | 0.60 | — | — | |
| SCHEMBL20840328 | 0.60 | — | — | |
| SCHEMBL4199835 | 0.59 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1538137-B1 | GAS GENERANT COMPOSITION | DAICEL CORP (JP) | 2016-11-09 | — | — | EP | disclosed |
| US-20100078098-A1 | GAS GENERATING COMPOSITION FOR INFLATOR CONTAINING MELAMINE CYANURATE | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2010-04-01 | — | — | US | disclosed |
| US-20050263224-A1 | Gas generating composition for inflator containing melamine cyanurate | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2005-12-01 | — | — | US | disclosed |
| US-6964716-B2 | Gas generating composition | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2005-11-15 | — | — | US | disclosed |
| US-20050127324-A1 | Low temperature combustion; reduced toxicity; mixture of organic fuel, oxygen-containing oxidizing agent, magnesium hydroxide or a mixture of magnesium hydroxide and aluminum hydroxide, binder, and additive of metal oxides and metal carbonates, and/or silicon dioxide | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2005-06-16 | — | — | US | disclosed |
| EP-1538137-A1 | GAS GENERANT COMPOSITION | Daicel Chemical Industries, Ltd. (JP) | 2005-06-08 | — | — | EP | disclosed |
| US-20040154710-A1 | Gas generating composition | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2004-08-12 | — | — | US | disclosed |
| US-20040123925-A1 | Gas generating composition | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2004-07-01 | — | — | US | disclosed |