⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL28400369 | 0.94 | — | — | |
| Ammonia Solution, Strong SCHEMBL28483246 | 0.94 | — | — | |
| SCHEMBL25534 | 0.93 | — | — | |
| Hydrazine SCHEMBL20424895 | 0.86 | — | — | |
| Water SCHEMBL29132036 | 0.86 | — | — | |
| Charcoal, Activated SCHEMBL990063 | 0.86 | — | — | |
| Formaldehyde SCHEMBL1322931 | 0.80 | — | — | |
| Nitrous Acid SCHEMBL17395924 | 0.76 | — | — | |
| Benzene SCHEMBL4732222 | 0.76 | — | — | |
| SCHEMBL28799464 | 0.72 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118225846-A | Ionic liquid gel-based nitrosamine chemical sensor and preparation method thereof | 同济大学 | 2024-06-21 | — | — | CN | disclosed |
| CN-115219572-B | Method for detecting nitrate ions by MOFs electrode | 重庆工商大学 | 2023-05-19 | — | — | CN | disclosed |
| CN-111693631-A | Method for simultaneously determining multiple harmful substances in wine | 仲恺农业工程学院 | 2020-09-22 | — | — | CN | disclosed |
| CN-104190225-B | The recovery and purification method of nitric acid tail gas and device | 安徽金禾实业股份有限公司 | 2016-06-08 | — | — | CN | disclosed |
| EP-0476334-A1 | The use of alkaline earth oxides and hydroxides to reduce nitrosamine formation from vulcanization accelerators | THE B.F. GOODRICH COMPANY (US) | 1992-03-25 | — | — | EP | disclosed |
| US-4076849-A | AROMATIC SECONDARY AMINES | CANADA PACKERS LIMITED (CA) | 1978-02-28 | — | — | US | disclosed |