⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1274333 | 0.69 | — | — | |
| SCHEMBL963635 | 0.69 | — | — | |
| SCHEMBL14476659 | 0.65 | — | — | |
| SCHEMBL115906 | 0.64 | — | — | |
| SCHEMBL1357348 | 0.61 | — | — | |
| SCHEMBL5852861 | 0.61 | — | — | |
| Apaflurane SCHEMBL19860 | 0.61 | ALDH1A1 (0.33) | — | |
| SCHEMBL1338261 | 0.60 | — | — | |
| SCHEMBL6340848 | 0.59 | — | — | |
| SCHEMBL892008 | 0.59 | — | — |
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-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 |