⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21962502 | 0.78 | — | — | |
| SCHEMBL436856 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL1715751 | 0.75 | PKM (0.44) | — | |
| SCHEMBL13127186 | 0.75 | NPC1 (0.37) | — | |
| SCHEMBL3196805 | 0.75 | CA2 (0.32) | — | |
| SCHEMBL3131400 | 0.75 | — | — | |
| SCHEMBL14726457 | 0.74 | HDAC3 (0.32) | — | |
| SCHEMBL1230092 | 0.72 | — | — | |
| SCHEMBL13412427 | 0.71 | CYP1A2 (0.33) | — | |
| SCHEMBL1660094 | 0.70 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8614217-B2 | Fungicide hydroximoyl-tetrazole derivatives | BAYER CROPSCIENCE AG (DE) | 2013-12-24 | — | — | US | disclosed |
| US-20110201613-A1 | FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2011-08-18 | — | — | US | disclosed |
| EP-2303864-A1 | FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES | Bayer CropScience AG (DE) | 2011-04-06 | — | — | EP | disclosed |
| WO-2010000841-A1 | FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES | BAYER CROPSCIENCE SA (FR) | 2010-01-07 | — | — | WO | disclosed |