⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30208751 | 1.00 | — | — | |
| SCHEMBL8995833 | 0.79 | TDP1 (0.38) | — | |
| SCHEMBL28161165 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL28575974 | 0.78 | MEN1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL18422461 | 0.77 | CDC25B (0.31) | — | |
| SCHEMBL17197111 | 0.77 | — | — | |
| SCHEMBL30608799 | 0.77 | — | — | |
| SCHEMBL26273064 | 0.77 | CYP19A1 (0.32) | — | |
| SCHEMBL1132433 | 0.74 | — | — | |
| SCHEMBL2605772 | 0.74 | CYP17A1 (0.36) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3611165-A1 | PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT | Mitsui Chemicals Agro, Inc. (JP) | 2020-02-19 | — | — | EP | disclosed |
| WO-2015020112-A1 | DIFLUOROMETHYLENE COMPOUND | 石原産業株式会社 (JP) | 2015-02-12 | — | — | WO | disclosed |
| US-6281221-B1 | Substituted 1,3-dioxan-5-ylamino-hererocyclic compounds, processes for their preparation and their use as pest control compositions | HOECHST SCERING AGREVO GMBH (DE) | 2001-08-28 | — | — | US | disclosed |
| CN-1189830-A | Substituted 1, 3-dioxan-5-ylamino-heterocyclic compounds, method for the production thereof and use thereof as pest control agents | HOECHST SCHERING AGREVO GMBH (DE) | 1998-08-05 | — | — | CN | disclosed |
| CN-1076692-A | Substituted pyrimidines, their production and use as pesticides and fungicides | HOECHST AG (DE) | 1993-09-29 | — | — | CN | disclosed |
| CN-1058776-A | Agricultural chemicals | CIBA GEIGY AG (CH) | 1992-02-19 | — | — | CN | disclosed |