⚠ 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 | |
|---|---|---|---|---|
| Propane SCHEMBL27666583 | 0.81 | — | — | |
| Alcohol SCHEMBL9255779 | 0.76 | — | — | |
| Alcohol SCHEMBL30902548 | 0.76 | ALDH1A1 (0.35) | — | |
| SCHEMBL5072118 | 0.75 | CA1 (0.36) | — | |
| Ethane SCHEMBL28226466 | 0.74 | — | — | |
| SCHEMBL1332032 | 0.74 | — | — | |
| SCHEMBL326193 | 0.74 | ALDH1A1 (0.47) | — | |
| Fluoride SCHEMBL5345765 | 0.74 | — | — | |
| SCHEMBL20546841 | 0.74 | ALDH1A1 (0.47) | — | |
| SCHEMBL2011229 | 0.74 | — | — |
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-111855904-A | Electrolyte waste gas detection device and application method thereof | 安徽南都华铂新材料科技有限公司 | 2020-10-30 | — | — | CN | disclosed |