⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16105329 | 0.81 | — | — | |
| SCHEMBL2517327 | 0.71 | — | — | |
| SCHEMBL13645677 | 0.71 | COMT (0.32) | — | |
| SCHEMBL1085685 | 0.71 | KDM4E (0.34) | — | |
| SCHEMBL1086231 | 0.69 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL3251664 | 0.69 | GAA (0.34) | — | |
| SCHEMBL3254688 | 0.69 | RAB9A (0.33) | — | |
| SCHEMBL3258066 | 0.68 | GAA (0.33) | — | |
| SCHEMBL2518561 | 0.67 | NPC1 (0.30) | — | |
| SCHEMBL19580163 | 0.67 | ADORA2A (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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-1692093-A1 | BIPHENYL DERIVATIVES USEFUL AS LIGANDS THAT ACTIVATE THE RAR RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS | Galderma Research & Development, S.N.C. (FR) | 2006-08-23 | — | — | 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-2005056516-A1 | BIPHENYL DERIVATIVES USEFUL AS LIGANDS THAT ACTIVATE THE RAR RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS | GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) | 2005-06-23 | — | — | WO | 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 |