⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28259243 | 0.81 | — | — | |
| SCHEMBL11877581 | 0.76 | — | — | |
| SCHEMBL10819298 | 0.76 | — | — | |
| SCHEMBL10171755 | 0.76 | — | — | |
| SCHEMBL766771 | 0.76 | — | — | |
| SCHEMBL3505899 | 0.75 | ALDH1A1 (0.40) | — | |
| SCHEMBL11688792 | 0.74 | — | — | |
| SCHEMBL28932392 | 0.74 | — | — | |
| SCHEMBL10764688 | 0.74 | — | — | |
| SCHEMBL12961550 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101977504-B | Fungicide hydroximoyl-tetrazole derivatives | BAYER CROPSCIENCE SA | 2014-11-26 | — | — | CN | disclosed |
| 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 |
| CN-101977504-A | Fungicide hydroximoyl-tetrazole derivatives | BAYER CROPSCIENCE SA | 2011-02-16 | — | — | CN | disclosed |
| EP-2265118-A2 | FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES | Bayer CropScience AG (DE) | 2010-12-29 | — | — | EP | disclosed |
| WO-2009115557-A2 | FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES | BAYER CROPSCIENCE SA (FR) | 2009-09-24 | — | — | WO | disclosed |
| EP-0093384-B1 | THIOPHENE DERIVATIVES AND FUNGICIDAL COMPOSITION CONTAINING THE SAME | UBE INDUSTRIES, LTD. (JP) | 1986-06-11 | — | — | EP | disclosed |
| US-4454131-A | FUNGICIDES | UBE INDUSTRIES, LTD. (JP) | 1984-06-12 | — | — | US | disclosed |
| EP-0093384-A1 | Thiophene derivatives and fungicidal composition containing the same | UBE INDUSTRIES, LTD. (JP) | 1983-11-09 | — | — | EP | disclosed |