⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8446270 | 0.92 | PTGS2 (0.31) | — | |
| SCHEMBL8445885 | 0.92 | PTGS2 (0.31) | — | |
| SCHEMBL8446164 | 0.89 | HIF1A (0.31) | — | |
| SCHEMBL8446136 | 0.86 | PTGS2 (0.34) | — | |
| SCHEMBL8446133 | 0.86 | PTGS2 (0.34) | — | |
| SCHEMBL8445840 | 0.86 | — | — | |
| SCHEMBL8445843 | 0.86 | — | — | |
| SCHEMBL8446879 | 0.79 | — | — | |
| SCHEMBL8446880 | 0.79 | — | — | |
| SCHEMBL8445942 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0893433-A1 | ALPHA-ALKOXYIMINOBENZYL DERIVATIVES AND AGRICULTURAL CHEMICALS CONTAINING THEM AS ACTIVE INGREDIENTS | SHIONOGI & CO., LTD. (JP) | 1999-01-27 | — | — | EP | disclosed |