⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL324551 | 0.94 | — | — | |
| Ammonia Solution, Strong SCHEMBL10427644 | 0.92 | GSR (0.54) | — | |
| SCHEMBL7763205 | 0.92 | GSR (0.54) | — | |
| SCHEMBL323260 | 0.92 | GSR (0.54) | — | |
| SCHEMBL1774751 | 0.92 | GSR (0.54) | — | |
| SCHEMBL3804843 | 0.92 | GSR (0.54) | — | |
| SCHEMBL11061616 | 0.92 | GSR (0.54) | — | |
| SCHEMBL8957355 | 0.90 | GSR (0.43) | — | |
| SCHEMBL8957333 | 0.88 | GSR (0.50) | — | |
| SCHEMBL28921029 | 0.88 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115518593-B | Alkyl nitrate preparation process and device | 西安万德能源化学股份有限公司 | 2025-01-24 | — | — | CN | disclosed |
| WO-2024218445-A1 | FUEL OR COMBUSTIBLE SUBSTANCE COMPOSITION COMPRISING AMMONIA AND AT LEAST ONE ALKYNE | TOTALENERGIES ONETECH (FR) | 2024-10-24 | — | — | WO | disclosed |
| CN-115518593-A | Alkyl nitrate preparation process and device | 西安万德能源化学股份有限公司 | 2022-12-27 | — | — | CN | disclosed |
| US-20070135380-A1 | O-nitro compounds, pharmaceutical compositions thereof and uses thereof | RADIORX, INC. (US) | 2007-06-14 | — | — | US | disclosed |