⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL348415 | 0.71 | — | — | |
| SCHEMBL22400781 | 0.71 | — | — | |
| SCHEMBL18695000 | 0.71 | — | — | |
| SCHEMBL31522812 | 0.71 | — | — | |
| SCHEMBL1859315 | 0.69 | — | — | |
| SCHEMBL1856950 | 0.69 | — | — | |
| SCHEMBL21374371 | 0.69 | — | — | |
| SCHEMBL2486690 | 0.69 | — | — | |
| SCHEMBL3027290 | 0.69 | — | — | |
| SCHEMBL21947336 | 0.69 | — | — |
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-8466176-B2 | Fungicide hydroximoyl-tetrazole derivatives | BAYER CROPSCIENCE AG (DE) | 2013-06-18 | — | — | US | disclosed |
| US-20110105566-A1 | FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2011-05-05 | — | — | US | disclosed |