⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL782163 | 0.90 | L3MBTL1 (0.32) | — | |
| SCHEMBL768851 | 0.86 | KMT2A (0.33) | — | |
| SCHEMBL782178 | 0.85 | — | — | |
| SCHEMBL13077314 | 0.82 | POLB (0.32) | — | |
| SCHEMBL13052304 | 0.82 | POLB (0.32) | — | |
| SCHEMBL13052301 | 0.82 | POLB (0.30) | — | |
| SCHEMBL782541 | 0.81 | KMT2A (0.31) | — | |
| SCHEMBL13052305 | 0.80 | — | — | |
| SCHEMBL782586 | 0.80 | CRHR1 (0.34) | — | |
| SCHEMBL782286 | 0.79 | KMT2A (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 5 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-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 |
| US-20120071319-A1 | SPIROHETEROCYCLIC FURAN AND THIOFURAN DIONE DERIVATIVES | SYNGENTA CROP PROTECTION, LLC (US) | 2012-03-22 | — | — | US | disclosed |
| WO-2010135914-A1 | NEW SPIROHETEROCYCLIC FURAN AND THIOFURAN DIONE DERIVATIVES | SYNGENTA PARTICIPATIONS AG (CH) | 2010-12-02 | — | — | WO | disclosed |