⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7594678 | 0.85 | — | — | |
| SCHEMBL7602005 | 0.85 | P2RX7 (0.30) | — | |
| SCHEMBL7658216 | 0.82 | EGFR (0.31) | — | |
| SCHEMBL7595081 | 0.81 | GAA (0.32) | — | |
| SCHEMBL7601120 | 0.80 | COMT (0.31) | — | |
| SCHEMBL19641780 | 0.76 | GAA (0.32) | — | |
| SCHEMBL29435262 | 0.76 | GAA (0.32) | — | |
| SCHEMBL7660906 | 0.76 | KHK (0.40) | — | |
| SCHEMBL7595408 | 0.75 | GAA (0.31) | — | |
| SCHEMBL19641854 | 0.75 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20020156285-A1 | Novel herbicides | KUNZ WALTER (CH) | 2002-10-24 | — | — | US | disclosed |
| US-6369002-B1 | HETERO IS PYRIMIDINE OR PYRIDAZINE; 1-(3-FLUORO-5-CHLORO PYRIDIN-2-YL)-3-METHYL-4-TRIFLUOROMETHYLPYRIMIDIN-2,6-DIONE | SYNGENTA CROP PROPERTIES, INC. | 2002-04-09 | — | — | US | disclosed |
| EP-1076656-A2 | N-HETEROARYL-SUBSTITUTED PYRIDINE DERIVATIVES AND THEIR USE AS HERBICIDES | Novartis AG (CH) | 2001-02-21 | — | — | EP | disclosed |
| WO-1999055693-A2 | N-HETEROARYL-SUBSTITUTED PYRIDINE DERIVATIVES AND THEIR USE AS HERBICIDES | NOVARTIS AG (CH) | 1999-11-04 | — | — | WO | disclosed |