⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13066572 | 0.70 | ALDH1A1 (0.34) | — | |
| SCHEMBL27476206 | 0.64 | RAD52 (0.33) | — | |
| SCHEMBL2298651 | 0.60 | — | — | |
| SCHEMBL1815177 | 0.59 | — | — | |
| SCHEMBL10795735 | 0.57 | — | — | |
| SCHEMBL3787735 | 0.56 | — | — | |
| SCHEMBL27566429 | 0.56 | HSP90AA1 (0.31) | — | |
| SCHEMBL1847825 | 0.56 | BCL6 (0.33) | — | |
| SCHEMBL4860463 | 0.55 | — | — | |
| SCHEMBL15326918 | 0.55 | — | — |
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 |