⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13383736 | 0.98 | — | — | |
| SCHEMBL13255769 | 0.93 | LIPG (0.30) | — | |
| SCHEMBL13401459 | 0.92 | APLNR (0.31) | — | |
| SCHEMBL124733 | 0.91 | DRD2 (0.31) | — | |
| SCHEMBL31482986 | 0.91 | DRD2 (0.31) | — | |
| SCHEMBL14654290 | 0.91 | DRD2 (0.31) | — | |
| SCHEMBL124732 | 0.91 | DRD2 (0.31) | — | |
| SCHEMBL14242410 | 0.91 | DRD2 (0.31) | — | |
| SCHEMBL6466314 | 0.91 | LIPC (0.31) | — | |
| SCHEMBL14180527 | 0.91 | LIPC (0.31) | — |
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-9743668-B2 | Compatibilized electrolyte formulations | SYNGENTA CROP PROTECTION, LLC (US) | 2017-08-29 | — | — | US | disclosed |
| US-20120115816-A1 | COMPATIBILIZED ELECTROLYTE FORMULATIONS | SYNGENTA CROP PROTECTION LLC (US) | 2012-05-10 | — | — | US | disclosed |
| WO-2011104183-A1 | NOVEL MICROBICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2011-09-01 | — | — | WO | disclosed |