⚠ 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 | |
|---|---|---|---|---|
| Methane SCHEMBL9102612 | 0.82 | — | — | |
| Methane SCHEMBL7626599 | 0.82 | — | — | |
| SCHEMBL124576 | 0.82 | — | — | |
| SCHEMBL5464729 | 0.67 | — | — | |
| Fluoride SCHEMBL9749579 | 0.67 | — | — | |
| SCHEMBL3888316 | 0.67 | — | — | |
| SCHEMBL6079247 | 0.67 | — | — | |
| SCHEMBL15514386 | 0.67 | — | — | |
| SCHEMBL1536013 | 0.67 | — | — | |
| Hydrogen Sulfide SCHEMBL21258140 | 0.67 | — | — |
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-112687900-A | Electric energy-value-added chemical symbiotic fuel cell and preparation method thereof | 深圳大学 | 2021-04-20 | — | — | CN | disclosed |