⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL77462 | 0.65 | IDO1 (0.32) | — | |
| SCHEMBL11726952 | 0.62 | — | — | |
| SCHEMBL77334 | 0.53 | — | — | |
| SCHEMBL13615480 | 0.51 | — | — | |
| SCHEMBL16659500 | 0.49 | — | — | |
| SCHEMBL18560362 | 0.47 | — | — | |
| SCHEMBL18161330 | 0.46 | TSHR (0.30) | — | |
| SCHEMBL9998917 | 0.46 | — | — | |
| SCHEMBL15840943 | 0.46 | — | — | |
| SCHEMBL14609925 | 0.46 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8981111-B2 | Fungicide hydroximoyl-heterocycles derivatives | BAYER CROPSCIENCE AG (DE) | 2015-03-17 | — | — | US | disclosed |
| US-8129415-B2 | Fungicide hydroximoyl-tetrazole derivatives | BAYER CROPSCIENCE AG (DE) | 2012-03-06 | — | — | US | disclosed |
| US-8119645-B2 | Fungicide hydroximoyl-tetrazole derivatives | BAYER CROPSCIENCE AG (DE) | 2012-02-21 | — | — | US | disclosed |
| US-8119646-B2 | Fungicide hydroximoyl-tetrazole derivatives | BAYER CROPSCIENCE AG (DE) | 2012-02-21 | — | — | US | disclosed |
| US-20110034445-A1 | FUNGICIDE HYDROXIMOYL-HETEROCYCLES DERIVATIVES | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2011-02-10 | — | — | US | disclosed |
| US-20100286173-A1 | FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES | BAYER CROPSCIENCE AG (DE) | 2010-11-11 | — | — | US | disclosed |
| US-20090291969-A1 | Fungicide hydroximoyl-tetrazole derivatives | BAYER CROPSCIENCE AG (DE) | 2009-11-26 | — | — | US | disclosed |
| US-20090258875-A1 | Fungicide Hydroximoyl-Tetrazole Derivatives | BAYER CROPSCIENCE AG (DE) | 2009-10-15 | — | — | US | disclosed |
| US-20090192196-A1 | Fungicide hydroximoyl-tetrazole derivatives | BAYER CROPSCIENCE AG (DE) | 2009-07-30 | — | — | US | disclosed |