⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4201308 | 0.97 | — | — | |
| Potassium Ion SCHEMBL4206827 | 0.95 | — | — | |
| Ammonia Solution, Strong SCHEMBL8665452 | 0.95 | — | — | |
| SCHEMBL4196098 | 0.73 | — | — | |
| Ammonia Solution, Strong SCHEMBL8667532 | 0.72 | GAA (0.41) | — | |
| SCHEMBL492195 | 0.69 | — | — | |
| SCHEMBL1601687 | 0.68 | — | — | |
| SCHEMBL28228407 | 0.67 | CA5A (0.38) | — | |
| Ammonia Solution, Strong SCHEMBL9456290 | 0.67 | — | — | |
| SCHEMBL327059 | 0.65 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090139618-A1 | N-hydroxy-N'-nitrourea and related compounds as high energy density materials | AIR FORCE, UNTED STATES | 2009-06-04 | — | — | US | disclosed |