⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18280674 | 0.83 | GABRA1 (0.31) | — | |
| SCHEMBL18280677 | 0.83 | JAK2 (0.31) | — | |
| SCHEMBL18289298 | 0.82 | GABRA1 (0.37) | — | |
| SCHEMBL18280678 | 0.81 | — | — | |
| SCHEMBL18280680 | 0.80 | — | — | |
| SCHEMBL28098723 | 0.78 | — | — | |
| SCHEMBL18289263 | 0.78 | GSK3B (0.31) | — | |
| SCHEMBL18289297 | 0.77 | AKT1 (0.31) | — | |
| SCHEMBL18289265 | 0.74 | GABRG2 (0.32) | — | |
| SCHEMBL18289300 | 0.74 | GABRA1 (0.33) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3102570-B1 | MICROBIOCIDAL HETEROBICYCLIC DERIVATIVES | SYNGENTA PARTICIPATIONS AG (CH) | 2019-01-02 | — | — | EP | disclosed |
| US-9586969-B2 | Microbiocidal heterobicyclic derivatives | SYNGENTA PARTICIPATIONS AG (CH) | 2017-03-07 | — | — | US | disclosed |
| US-9586969-B2 | Microbiocidal heterobicyclic derivatives | SYNGENTA PARTICIPATIONS AG (CH) | 2017-03-07 | — | — | US | disclosed |
| US-9586969-B2 | Microbiocidal heterobicyclic derivatives | SYNGENTA PARTICIPATIONS AG (CH) | 2017-03-07 | — | — | US | disclosed |
| US-20160355518-A1 | MICROBIOCIDAL HETEROBICYCLIC DERIVATIVES | SYNGENTA PARTICIPATIONS AG (CH) | 2016-12-08 | — | — | US | disclosed |
| US-20160355518-A1 | MICROBIOCIDAL HETEROBICYCLIC DERIVATIVES | SYNGENTA PARTICIPATIONS AG (CH) | 2016-12-08 | — | — | US | disclosed |
| US-20160355518-A1 | MICROBIOCIDAL HETEROBICYCLIC DERIVATIVES | SYNGENTA PARTICIPATIONS AG (CH) | 2016-12-08 | — | — | US | disclosed |