⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22390681 | 0.65 | CYP3A4 (0.32) | — | |
| SCHEMBL13278595 | 0.62 | CYP3A4 (0.54) | — | |
| SCHEMBL1728158 | 0.54 | ALDH1A1 (0.33) | — | |
| SCHEMBL423439 | 0.46 | CYP3A4 (0.38) | — | |
| SCHEMBL10758404 | 0.45 | — | — | |
| SCHEMBL5615393 | 0.39 | — | — | |
| SCHEMBL31325568 | 0.39 | — | — | |
| SCHEMBL31207086 | 0.39 | — | — | |
| SCHEMBL26005 | 0.39 | — | — | |
| SCHEMBL2125267 | 0.39 | — | — |
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-9095140-B2 | Use of dithiine-tetracarboximides for controlling phytopathogenic fungi | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2015-08-04 | — | — | US | disclosed |
| US-20150065551-A1 | Use of Dithiine-tetracarboximides for Controlling Phytopathogenic Fungi | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2015-03-05 | — | — | US | disclosed |
| US-8865759-B2 | Use of dithiine-tetracarboximides for controlling phytopathogenic fungi | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2014-10-21 | — | — | US | disclosed |
| US-20110319462-A1 | Use of Dithiine-tetracarboximides for Controlling Phytopathogenic Fungi | BAYER CROPSCIENCE AG | 2011-12-29 | — | — | US | disclosed |
| US-20100120884-A1 | USE OF DITHIINE-TETRACARBOXIMIDES FOR CONTROLLING PHYTOPATHOGENIC FUNGI | BAYER CROPSCIENCE AG (DE) | 2010-05-13 | — | — | US | disclosed |