⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15846673 | 0.79 | FAAH (0.45) | — | |
| SCHEMBL1325 | 0.79 | FAAH (0.45) | — | |
| SCHEMBL618874 | 0.79 | ALDH1A1 (0.43) | — | |
| SCHEMBL13841374 | 0.78 | ALDH1A1 (0.35) | — | |
| Hydrogen Sulfide SCHEMBL10814521 | 0.77 | FAAH (0.44) | — | |
| SCHEMBL2194853 | 0.77 | FAAH (0.44) | — | |
| Phosphine SCHEMBL31680518 | 0.77 | FAAH (0.44) | — | |
| SCHEMBL173415 | 0.77 | — | — | |
| SCHEMBL10814524 | 0.77 | FAAH (0.44) | — | |
| SCHEMBL6558961 | 0.77 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105517440-A | Fungicidal 3- { phenyl [ (heterocyclylmethoxy) imino ] methyl } -oxadiazolone derivatives | BAYER CROPSCIENCE AG | 2016-04-20 | — | — | CN | disclosed |
| CN-105462391-A | Interior wall latex paint having efficient sterilization and anion releasing functions | HUBAO NEW MAT TECH (SHANGHAI) CO LTD | 2016-04-06 | — | — | CN | disclosed |