⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3396716 | 0.86 | — | — | |
| SCHEMBL3402184 | 0.81 | — | — | |
| SCHEMBL3400003 | 0.76 | — | — | |
| SCHEMBL3298133 | 0.73 | NOTUM (0.33) | — | |
| SCHEMBL377290 | 0.72 | — | — | |
| SCHEMBL1461147 | 0.71 | — | — | |
| SCHEMBL1460915 | 0.71 | — | — | |
| SCHEMBL1406290 | 0.70 | — | — | |
| SCHEMBL2428819 | 0.69 | PTGDR2 (0.33) | — | |
| SCHEMBL4022894 | 0.68 | — | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1678142-B1 | HEXYL CARBOXANILIDES AND THEIR USE FOR CONTROLLING UNDESIRABLE MICRO-ORGANISMS | BAYER CROPSCIENCE AG (DE) | 2014-10-01 | — | — | EP | claimed |
| JP-4778904-B2 | — | — | 2011-09-21 | — | — | JP | claimed |
| JP-4725977-B2 | — | — | 2011-07-13 | — | — | JP | claimed |
| EP-1678119-B1 | METHOD FOR PRODUCING 2-DIHALOACYL-3-AMINO-ACRYLIC ACID ESTERS AND 3-DIHALOMETHYL-PYRAZOLE-4-CARBOXYLIC ACID ESTERS | BAYER CROPSCIENCE AG (DE) | 2011-01-05 | — | — | EP | claimed |
| JP-2007509850-A | — | — | 2007-04-19 | — | — | JP | claimed |
| EP-1678119-A1 | METHOD FOR PRODUCING 2-DIHALOACYL-3-AMINO-ACRYLIC ACID ESTERS AND 3-DIHALOMETHYL-PYRAZOLE-4-CARBOXYLIC ACID ESTERS | Bayer CropScience Aktiengesellschaft (DE) | 2006-07-12 | — | — | EP | claimed |
| EP-1678142-A1 | HEXYL CARBOXANILIDES AND THEIR USE FOR CONTROLLING UNDESIRABLE MICRO-ORGANISMS | Bayer CropScience AG (DE) | 2006-07-12 | — | — | EP | claimed |
| WO-2005042468-A1 | METHOD FOR PRODUCING 2-DIHALOACYL-3-AMINO-ACRYLIC ACID ESTERS AND 3-DIHALOMETHYL-PYRAZOLE-4-CARBOXYLIC ACID ESTERS | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2005-05-12 | — | — | WO | claimed |
| WO-2005042493-A1 | HEXYL CARBOXANILIDES AND THEIR USE FOR CONTROLLING UNDESIRABLE MICRO-ORGANISMS | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2005-05-12 | — | — | WO | claimed |
| EP-1678142-B1 | HEXYL CARBOXANILIDES AND THEIR USE FOR CONTROLLING UNDESIRABLE MICRO-ORGANISMS | BAYER CROPSCIENCE AG (DE) | 2014-10-01 | — | — | EP | disclosed |
| EP-1678141-B1 | 1,3-DIMETHYLBUTYL CARBOXANILIDES FOR CONTROLLING UNDESIRABLE MICRO-ORGANISMS | BAYER CROPSCIENCE AG (DE) | 2014-02-12 | — | — | EP | disclosed |
| EP-2192115-B1 | 1,3-DIMETHYLBUTYLCARBOXANILIDES FOR CONTROLLING UNDESIRABLE MICRO-ORGANISMS | BAYER CROPSCIENCE AG (DE) | 2014-02-12 | — | — | EP | disclosed |
| EP-2192115-A1 | 1,3-dimethylbutylcarboxanilides for controlling undesirable micro-organisms | Bayer CropScience AG (DE) | 2010-06-02 | — | — | EP | disclosed |
| EP-1678142-A1 | HEXYL CARBOXANILIDES AND THEIR USE FOR CONTROLLING UNDESIRABLE MICRO-ORGANISMS | Bayer CropScience AG (DE) | 2006-07-12 | — | — | EP | disclosed |
| EP-1678141-A1 | 1,3-DIMETHYLBUTYL CARBOXANILIDES FOR CONTROLLING UNDESIRABLE MICRO-ORGANISMS | Bayer CropScience Aktiengesellschaft (DE) | 2006-07-12 | — | — | EP | disclosed |
| WO-2005042493-A1 | HEXYL CARBOXANILIDES AND THEIR USE FOR CONTROLLING UNDESIRABLE MICRO-ORGANISMS | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2005-05-12 | — | — | WO | disclosed |
| WO-2005042492-A1 | 1,3-DIMETHYLBUTYL CARBOXANILIDES FOR CONTROLLING UNDESIRABLE MICRO-ORGANISMS | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2005-05-12 | — | — | WO | disclosed |