⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4616938 | 0.83 | — | — | |
| SCHEMBL7909205 | 0.78 | — | — | |
| SCHEMBL8796098 | 0.75 | CA1 (0.35) | — | |
| SCHEMBL14013708 | 0.74 | — | — | |
| SCHEMBL3948671 | 0.70 | — | — | |
| SCHEMBL3942324 | 0.70 | — | — | |
| SCHEMBL7911258 | 0.69 | PKM (0.36) | — | |
| SCHEMBL7901217 | 0.68 | CA1 (0.38) | — | |
| SCHEMBL7908089 | 0.67 | — | — | |
| SCHEMBL8632281 | 0.67 | GAA (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 |
|---|---|---|---|---|---|---|---|
| US-20080300138-A1 | Dioxazinyl-Substituted Thienylsulphonylaminocarbonyl Compounds | GESING ERNST R F | 2008-12-04 | — | — | US | disclosed |
| US-20080300138-A1 | Dioxazinyl-Substituted Thienylsulphonylaminocarbonyl Compounds | GESING ERNST R F | 2008-12-04 | — | — | US | disclosed |
| US-20080300138-A1 | Dioxazinyl-Substituted Thienylsulphonylaminocarbonyl Compounds | GESING ERNST R F | 2008-12-04 | — | — | US | disclosed |
| EP-1773825-B1 | DIOXAZINYL-SUBSTITUTED THIENYLSULPHONYLAMINOCARBONYL COMPOUNDS | BAYER CROPSCIENCE AG (DE) | 2008-01-23 | — | — | EP | disclosed |
| EP-1773825-B1 | DIOXAZINYL-SUBSTITUTED THIENYLSULPHONYLAMINOCARBONYL COMPOUNDS | BAYER CROPSCIENCE AG (DE) | 2008-01-23 | — | — | EP | disclosed |
| EP-1773825-A1 | DIOXAZINYL-SUBSTITUTED THIENYLSULPHONYLAMINOCARBONYL COMPOUNDS | Bayer CropScience Aktiengesellschaft (DE) | 2007-04-18 | — | — | EP | disclosed |
| WO-2006012982-A1 | DIOXAZINYL-SUBSTITUTED THIENYLSULPHONYLAMINOCARBONYL COMPOUNDS | BAYER CROPSCIENCE AG (DE) | 2006-02-09 | — | — | WO | disclosed |