⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL782724 | 0.83 | DRD2 (0.31) | — | |
| SCHEMBL9289037 | 0.83 | STS (0.35) | — | |
| SCHEMBL9286734 | 0.73 | ALDH1A1 (0.31) | — | |
| SCHEMBL782434 | 0.72 | LMNA (0.32) | — | |
| SCHEMBL9286636 | 0.71 | — | — | |
| SCHEMBL782646 | 0.71 | STS (0.37) | — | |
| SCHEMBL782644 | 0.70 | L3MBTL1 (0.34) | — | |
| SCHEMBL782639 | 0.69 | STS (0.33) | — | |
| SCHEMBL782503 | 0.64 | KMO (0.30) | — | |
| SCHEMBL9286737 | 0.61 | HDAC3 (0.34) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8574607-B2 | Spiroheterocyclic thiofuran dione derivatives | SYNGENTA CROP PROTECTION, INC. (US) | 2013-11-05 | — | — | US | disclosed |
| US-20120071319-A1 | SPIROHETEROCYCLIC FURAN AND THIOFURAN DIONE DERIVATIVES | SYNGENTA CROP PROTECTION, LLC (US) | 2012-03-22 | — | — | US | disclosed |