⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13590080 | 0.81 | — | — | |
| SCHEMBL20962995 | 0.75 | — | — | |
| SCHEMBL14307306 | 0.72 | — | — | |
| SCHEMBL20757153 | 0.71 | — | — | |
| SCHEMBL12332466 | 0.71 | — | — | |
| SCHEMBL27705104 | 0.71 | — | — | |
| SCHEMBL21037686 | 0.70 | — | — | |
| SCHEMBL21401736 | 0.68 | — | — | |
| SCHEMBL24885641 | 0.67 | — | — | |
| SCHEMBL19231441 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9902712-B2 | Nitrogenous heterocyclic derivatives and their application in drugs | SUNSHINE LAKE PHARMA CO., LTD. (CN) | 2018-02-27 | — | — | US | disclosed |
| EP-2562175-A1 | 5-FLUORO PYRIMIDINE DERIVATIVES AS FUNGICIDES | Dow AgroSciences LLC (US) | 2013-02-27 | — | — | EP | disclosed |