⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22345468 | 0.84 | — | — | |
| SCHEMBL22345428 | 0.77 | DDAH1 (0.30) | — | |
| SCHEMBL28626091 | 0.72 | KDM4E (0.33) | — | |
| SCHEMBL22345467 | 0.69 | KDM4E (0.30) | — | |
| SCHEMBL28626094 | 0.69 | — | — | |
| SCHEMBL28628338 | 0.66 | CHAT (0.34) | — | |
| SCHEMBL28628334 | 0.66 | POLB (0.32) | — | |
| Hydrochloric Acid SCHEMBL22345460 | 0.65 | TBXAS1 (0.33) | — | |
| SCHEMBL22345540 | 0.63 | — | — | |
| SCHEMBL22144264 | 0.60 | KDM4E (0.49) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220132847-A1 | CINNOLINIUM COMPOUNDS FOR USE IN A METHOD OF CONTROLLING UNWANTED PLANT GROWTH | SYNGENTA CROP PROTECTION AG (CH) | 2022-05-05 | — | — | US | disclosed |
| EP-3924344-A1 | CINNOLINIUM COMPOUNDS FOR USE IN A METHOD OF CONTROLLING UNWANTED PLANT GROWTH | Syngenta Crop Protection AG (CH) | 2021-12-22 | — | — | EP | disclosed |
| WO-2020164970-A1 | CINNOLINIUM COMPOUNDS FOR USE IN A METHOD OF CONTROLLING UNWANTED PLANT GROWTH | SYNGENTA CROP PROTECTION AG (CH) | 2020-08-20 | — | — | WO | disclosed |