⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15896833 | 0.67 | — | — | |
| SCHEMBL21912811 | 0.66 | ALPG (0.39) | — | |
| SCHEMBL22435817 | 0.66 | EYA3 (0.43) | — | |
| SCHEMBL22549380 | 0.65 | APLNR (0.32) | — | |
| SCHEMBL11996096 | 0.62 | ALDH2 (0.31) | — | |
| SCHEMBL4304110 | 0.62 | — | — | |
| SCHEMBL14993107 | 0.61 | L3MBTL1 (0.35) | — | |
| SCHEMBL13138698 | 0.61 | L3MBTL1 (0.35) | — | |
| SCHEMBL4308727 | 0.61 | — | — | |
| SCHEMBL25457826 | 0.61 | ALDH1A1 (0.35) | — |
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-3892618-A1 | 4-PYRIDINYL FORMAMIDE COMPOUND OR DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF | Qingdao KingAgroot Chemical Compound Co., Ltd. (CN) | 2021-10-13 | — | — | EP | disclosed |