⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL758406 | 0.75 | MAPT (0.41) | — | |
| SCHEMBL2052940 | 0.72 | MAPK13 (0.32) | — | |
| SCHEMBL16798610 | 0.70 | GSK3B (0.39) | — | |
| SCHEMBL29816625 | 0.68 | NPC1 (0.42) | — | |
| SCHEMBL4855337 | 0.68 | CYP19A1 (0.47) | — | |
| SCHEMBL1673128 | 0.67 | — | — | |
| SCHEMBL2053083 | 0.67 | CYP2A6 (0.40) | — | |
| SCHEMBL2029826 | 0.66 | CYP19A1 (0.35) | — | |
| SCHEMBL26129059 | 0.64 | — | — | |
| SCHEMBL8431086 | 0.64 | METAP2 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2516423-A1 | THIENYLPYRI (MI) DINYLAZOLE AND THEIR USE FOR CONTROLLING PHYTOPATHOGENIC FUNGI | Bayer CropScience AG (DE) | 2012-10-31 | — | — | EP | disclosed |
| US-20110237588-A1 | Thienylpyri(mi)dinylazole | BAYER CROPSCIENCE AG (DE) | 2011-09-29 | — | — | US | disclosed |
| WO-2011076725-A1 | THIENYLPYRI (MI) DINYLAZOLE AND THEIR USE FOR CONTROLLING PHYTOPATHOGENIC FUNGI | BAYER CROPSCIENCE AG (DE) | 2011-06-30 | — | — | WO | disclosed |