⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17046289 | 0.84 | KCNK3 (0.36) | — | |
| SCHEMBL1068746 | 0.77 | — | — | |
| SCHEMBL1081977 | 0.77 | — | — | |
| SCHEMBL1068899 | 0.75 | SLC22A12 (0.32) | — | |
| SCHEMBL16956643 | 0.75 | — | — | |
| SCHEMBL900817 | 0.75 | EPHX2 (0.32) | — | |
| SCHEMBL622920 | 0.75 | DDB1 (0.34) | — | |
| SCHEMBL1068440 | 0.73 | HSD11B1 (0.33) | — | |
| SCHEMBL1083552 | 0.73 | SCN8A (0.31) | — | |
| SCHEMBL16953264 | 0.73 | MEN1 (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140018377-A1 | Aminopropenoates as Fungicides | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2014-01-16 | — | — | US | disclosed |
| US-8476197-B2 | Aminopropenoates as fungicides | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2013-07-02 | — | — | US | disclosed |
| US-20110152322-A1 | Aminopropenoates as Fungicides | BAYER CROPSCIENCE AG (DE) | 2011-06-23 | — | — | US | disclosed |
| WO-2011006886-A2 | AZOLE COMPOUNDS CARRYING A SULFUR SUBSTITUENT XIV | BASF SE (DE) | 2011-01-20 | — | — | WO | disclosed |
| WO-2010149758-A1 | ANTIFUNGAL 1, 2, 4-TRIAZOLYL DERIVATIVES | BASF SE (DE) | 2010-12-29 | — | — | WO | disclosed |