⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15935593 | 0.77 | — | — | |
| SCHEMBL3826710 | 0.64 | — | — | |
| SCHEMBL739623 | 0.62 | — | — | |
| SCHEMBL6438498 | 0.61 | — | — | |
| SCHEMBL15871033 | 0.61 | PNMT (0.33) | — | |
| SCHEMBL741045 | 0.61 | — | — | |
| SCHEMBL19471742 | 0.61 | — | — | |
| SCHEMBL11861754 | 0.59 | TRPA1 (0.55) | — | |
| SCHEMBL3307465 | 0.58 | NOS2 (0.61) | — | |
| SCHEMBL8057615 | 0.58 | NOS2 (1.00) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3752492-B1 | FUNGICIDAL OXADIAZOLES | BAYER AG (DE) | 2022-12-21 | — | — | EP | disclosed |
| US-20210009541-A1 | FUNGICIDAL OXADIAZOLES | BAYER AKTIENGESELLSCHAFT (DE) | 2021-01-14 | — | — | US | disclosed |
| WO-2020254493-A1 | THIENYLHYDROXYISOXAZOLINES AND DERIVATIVES THEREOF | BAYER AKTIENGESELLSCHAFT (DE) | 2020-12-24 | — | — | WO | disclosed |
| WO-2020254488-A1 | HYDROXYISOXAZOLINES AND USE THEREOF AS FUNGICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 2020-12-24 | — | — | WO | disclosed |
| WO-2019155066-A1 | FUNGICIDAL OXADIAZOLES | BAYER AKTIENGESELLSCHAFT (DE) | 2019-08-15 | — | — | WO | disclosed |