⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15756127 | 0.82 | — | — | |
| SCHEMBL9520485 | 0.81 | — | — | |
| SCHEMBL9520955 | 0.76 | — | — | |
| SCHEMBL20588782 | 0.75 | — | — | |
| SCHEMBL9872374 | 0.75 | — | — | |
| SCHEMBL9871235 | 0.75 | MEN1 (0.32) | — | |
| SCHEMBL9522193 | 0.75 | MEN1 (0.32) | — | |
| SCHEMBL9873129 | 0.73 | KMT2A (0.31) | — | |
| SCHEMBL22068047 | 0.73 | CYP1A2 (0.34) | — | |
| SCHEMBL8798930 | 0.72 | PABPC1 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0355597-B1 | SUBSTITUTED DIOXOLANYLETHYLAMINES, PROCESS FOR THEIR PREPARATION, THEIR USE IN PESTICIDES, AND INTERMEDIATES | BAYER AG (DE) | 1993-06-09 | — | — | EP | disclosed |
| US-4985421-A | Fungicidal substituted dioxolanylethylamine | BAYER AKTIENGESELLSCHAFT (DE) | 1991-01-15 | — | — | US | disclosed |
| EP-0355597-A1 | Substituted dioxolanylethylamines, process for their preparation, their use in pesticides, and intermediates | BAYER AG (DE) | 1990-02-28 | — | — | EP | disclosed |