⚠ 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 | |
|---|---|---|---|---|
| Dimethylamine SCHEMBL28631336 | 0.92 | EPHX1 (0.32) | — | |
| SCHEMBL28624464 | 0.91 | — | — | |
| Ammonia Solution, Strong SCHEMBL28623011 | 0.89 | — | — | |
| Dimethylamine SCHEMBL28624521 | 0.87 | EPHX1 (0.33) | — | |
| Dimethylamine SCHEMBL29166889 | 0.87 | EPHX1 (0.33) | — | |
| Dimethylamine SCHEMBL29166525 | 0.87 | EPHX1 (0.33) | — | |
| Dimethylamine SCHEMBL28621123 | 0.87 | EPHX1 (0.33) | — | |
| Dimethylamine SCHEMBL28625190 | 0.87 | EPHX1 (0.33) | — | |
| Dimethylamine SCHEMBL28628966 | 0.87 | EPHX1 (0.33) | — | |
| SCHEMBL28625379 | 0.83 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-107209146-B | Electrochemical gas sensor and electrolyte for electrochemical gas sensor | 德尔格安全股份两合公司 | 2024-03-12 | — | — | CN | disclosed |
| CN-113252759-A | Electrochemical gas sensor and electrolyte for electrochemical gas sensor | 德尔格安全股份两合公司 | 2021-08-13 | — | — | CN | disclosed |