⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28032068 | 0.93 | EPHX1 (0.64) | — | |
| SCHEMBL28032066 | 0.86 | — | — | |
| SCHEMBL590532 | 0.81 | EPHX1 (0.59) | — | |
| SCHEMBL16824229 | 0.81 | EPHX1 (0.59) | — | |
| SCHEMBL968307 | 0.79 | — | — | |
| SCHEMBL383296 | 0.79 | — | — | |
| SCHEMBL1274538 | 0.78 | ATM (0.52) | — | |
| SCHEMBL28538468 | 0.78 | ACHE (0.60) | — | |
| SCHEMBL8057568 | 0.77 | — | — | |
| SCHEMBL11411528 | 0.77 | ACHE (0.64) | — |
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-105732414-A | AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE AND PEST CONTROLLING METHOD | 三井化学AGRO株式会社 | 2016-07-06 | — | — | CN | disclosed |
| CN-105061251-A | Amide derivative | MITSUI CHEMICALS AGRO INC | 2015-11-18 | — | — | CN | disclosed |