⚠ 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 SCHEMBL28622869 | 1.00 | — | — | |
| Ammonia Solution, Strong SCHEMBL28631193 | 1.00 | — | — | |
| Ammonia Solution, Strong SCHEMBL28625001 | 1.00 | — | — | |
| SCHEMBL28628832 | 0.98 | ALOX15 (0.30) | — | |
| SCHEMBL28922514 | 0.98 | ALOX15 (0.30) | — | |
| SCHEMBL28627723 | 0.98 | ALOX15 (0.30) | — | |
| SCHEMBL28622849 | 0.98 | ALOX15 (0.30) | — | |
| SCHEMBL28621456 | 0.98 | ALOX15 (0.30) | — | |
| SCHEMBL28640360 | 0.96 | — | — | |
| Ammonia Solution, Strong SCHEMBL28635787 | 0.94 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |