⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2104840 | 0.89 | EPAS1 (0.32) | — | |
| SCHEMBL2106351 | 0.84 | — | — | |
| SCHEMBL2105340 | 0.84 | PTGS2 (0.33) | — | |
| SCHEMBL2106438 | 0.83 | EPAS1 (0.30) | — | |
| SCHEMBL2105602 | 0.82 | — | — | |
| SCHEMBL2102801 | 0.81 | — | — | |
| SCHEMBL2102804 | 0.81 | PTPN1 (0.35) | — | |
| SCHEMBL2103619 | 0.81 | EPAS1 (0.32) | — | |
| SCHEMBL2105582 | 0.80 | — | — | |
| SCHEMBL2104490 | 0.80 | EPAS1 (0.31) | — |
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-8563736-B2 | Amide derivatives, process for preparation thereof and use thereof as insecticide | MITSUI CHEMICALS, INC. (JP) | 2013-10-22 | — | — | US | disclosed |