⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21277010 | 0.73 | — | — | |
| SCHEMBL18934515 | 0.73 | — | — | |
| SCHEMBL14043145 | 0.71 | — | — | |
| SCHEMBL5707300 | 0.71 | — | — | |
| SCHEMBL14731898 | 0.71 | — | — | |
| SCHEMBL19423112 | 0.68 | SMN1; SMN2 (0.44) | — | |
| SCHEMBL14541547 | 0.68 | — | — | |
| SCHEMBL12501373 | 0.67 | — | — | |
| SCHEMBL18708798 | 0.66 | IDO1 (0.39) | — | |
| SCHEMBL20689342 | 0.66 | SMN1; SMN2 (0.46) | — |
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-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 |
| EP-2562165-A1 | 5-FLUORO PYRIMIDINE DERIVATIVES AS FUNGICIDES | Dow AgroSciences LLC (US) | 2013-02-27 | — | — | EP | disclosed |