⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9894639 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL20768975 | 0.77 | — | — | |
| SCHEMBL31145719 | 0.72 | — | — | |
| SCHEMBL8528344 | 0.72 | — | — | |
| SCHEMBL29306953 | 0.68 | — | — | |
| SCHEMBL11498738 | 0.68 | — | — | |
| SCHEMBL14528335 | 0.68 | — | — | |
| SCHEMBL19926443 | 0.67 | — | — | |
| Oxalic Acid SCHEMBL38660450 | 0.67 | GABRR1 (0.35) | — | |
| SCHEMBL16212096 | 0.65 | — | — |
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-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 |
| EP-0836603-A1 | SUBSTITUTED 1,3-DIOXAN-5-YLAMINO HETEROCYCLIC COMPOUNDS, METHODS FOR PREPARING THEM AND THEIR USE AS PESTICIDES | Hoechst Schering AgrEvo GmbH (DE) | 1998-04-22 | — | — | EP | disclosed |
| WO-1997002264-A1 | SUBSTITUTED 1,3-DIOXAN-5-YLAMINO HETEROCYCLIC COMPOUNDS, METHODS FOR PREPARING THEM AND THEIR USE AS PESTICIDES | HOECHST SCHERING AGREVO GMBH (DE) | 1997-01-23 | — | — | WO | disclosed |