⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14892345 | 0.74 | — | — | |
| SCHEMBL998989 | 0.71 | — | — | |
| SCHEMBL1320511 | 0.69 | — | — | |
| SCHEMBL9835113 | 0.69 | — | — | |
| SCHEMBL22612271 | 0.63 | — | — | |
| Acetone SCHEMBL29657100 | 0.61 | — | — | |
| Acetone SCHEMBL21835119 | 0.61 | — | — | |
| SCHEMBL902574 | 0.59 | — | — | |
| SCHEMBL442559 | 0.59 | — | — | |
| SCHEMBL1022318 | 0.59 | — | — |
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-7838463-B2 | Safeners based on acrylic-aliphatic carboxylic acid derivatives | BAYER CROPSCIENCE AG (DE) | 2010-11-23 | — | — | US | disclosed |
| EP-1653806-A1 | SAFENER BASED ON AROMATIC-ALIPHATIC CARBOXYLIC ACID DERIVATIVES | Bayer CropScience GmbH (DE) | 2006-05-10 | — | — | EP | disclosed |
| US-20050049145-A1 | Safeners based on acrylic-aliphatic carboxylic acid derivatives | BAYER CROPSCIENCE AG (DE) | 2005-03-03 | — | — | US | disclosed |
| WO-2005016001-A1 | SAFENER BASED ON AROMATIC-ALIPHATIC CARBOXYLIC ACID DERIVATIVES | BAYER CROPSCIENCE GMBH (DE) | 2005-02-24 | — | — | WO | disclosed |