⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20618136 | 0.81 | — | — | |
| SCHEMBL24070903 | 0.79 | SLC6A4 (0.32) | — | |
| SCHEMBL24070907 | 0.79 | SLC6A4 (0.32) | — | |
| SCHEMBL22401894 | 0.78 | HTR2A (0.31) | — | |
| SCHEMBL8235653 | 0.78 | — | — | |
| SCHEMBL20148882 | 0.76 | — | — | |
| SCHEMBL27089787 | 0.76 | TDP1 (0.30) | — | |
| SCHEMBL22401895 | 0.75 | — | — | |
| SCHEMBL23448644 | 0.74 | — | — | |
| SCHEMBL21727876 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3939975-A1 | HETEROCYCLIC COMPOUND AND AGRICULTURAL OR HORTICULTURAL BACTERICIDE | Nippon Soda Co., Ltd. (JP) | 2022-01-19 | — | — | EP | disclosed |
| EP-3904341-A1 | R-TYPE PYRIDYLOXYCARBOXYLIC ACID, SALT AND ESTER DERIVATIVE THEREOF, AND PREPARATION METHOD THEREFOR, AND HERBICIDAL COMPOSITION AND APPLICATION THEREOF | Qingdao KingAgroot Chemical Compound Co., Ltd. (CN) | 2021-11-03 | — | — | EP | disclosed |