⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL170638 | 0.97 | — | — | |
| SCHEMBL2489865 | 0.94 | — | — | |
| Methane SCHEMBL27943234 | 0.94 | — | — | |
| Ammonia Solution, Strong SCHEMBL88330 | 0.94 | — | — | |
| Hydrazine SCHEMBL726258 | 0.92 | — | — | |
| Hydroxyamine SCHEMBL7160353 | 0.90 | — | — | |
| SCHEMBL9233393 | 0.90 | ALDH1A1 (0.39) | — | |
| Nitric Acid SCHEMBL6859786 | 0.90 | CA5A (0.40) | — | |
| Trimethylammonium SCHEMBL7112774 | 0.87 | ALDH1A1 (0.37) | — | |
| Nitrous Acid SCHEMBL16814068 | 0.85 | ALDH1A1 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008075003-A1 | GLYCEROL FUEL | AQUAFUEL RESEARCH LIMITED (GB) | 2008-06-26 | — | — | WO | disclosed |
| US-5454842-A | Tall oil fatty alcohol nitrate as antiknock compound fuel additives for diesel fuel, distillates | EXXON RESEARCH & ENGINEERING CO. (US) | 1995-10-03 | — | — | US | disclosed |