⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2519792 | 0.74 | NOS3 (0.36) | — | |
| SCHEMBL686396 | 0.72 | — | — | |
| SCHEMBL2162039 | 0.70 | — | — | |
| SCHEMBL28188135 | 0.70 | ALDH1A1 (0.34) | — | |
| Nitric Acid SCHEMBL7461340 | 0.69 | CA5A (0.47) | — | |
| Nitric Acid SCHEMBL332649 | 0.69 | CA5A (0.47) | — | |
| Nitric Acid SCHEMBL3779829 | 0.69 | CA5A (0.40) | — | |
| SCHEMBL3421455 | 0.69 | NOS3 (0.33) | — | |
| SCHEMBL623332 | 0.69 | — | — | |
| SCHEMBL11786662 | 0.67 | NOS3 (0.40) | — |
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 2 patents. 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 |
| US-20090139618-A1 | N-hydroxy-N'-nitrourea and related compounds as high energy density materials | AIR FORCE, UNTED STATES | 2009-06-04 | — | — | US | disclosed |