⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3586825 | 1.00 | — | — | |
| SCHEMBL29616377 | 0.38 | — | — | |
| SCHEMBL2192140 | 0.38 | — | — | |
| Hydrogen Sulfide SCHEMBL15941638 | 0.38 | — | — | |
| Methane SCHEMBL22128042 | 0.38 | — | — | |
| Xenon Xe 127 SCHEMBL29617513 | 0.38 | — | — | |
| Ethylene SCHEMBL9863791 | 0.27 | — | — | |
| Ethylene SCHEMBL1770 | 0.27 | — | — | |
| Ethylene SCHEMBL8323678 | 0.27 | — | — | |
| Ethylene SCHEMBL1332643 | 0.27 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20100022559-A1 | BISOXIMES AS FUNGICIDES | BAYER CROPSCIENCE AG (DE) | 2010-01-28 | — | — | US | disclosed |