⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10417426 | 0.82 | PPOX (0.43) | — | |
| SCHEMBL9730449 | 0.81 | ALDH1A1 (0.32) | — | |
| SCHEMBL10521922 | 0.81 | NPBWR1 (0.34) | — | |
| SCHEMBL8582752 | 0.80 | ESR1 (0.40) | — | |
| SCHEMBL17599673 | 0.78 | — | — | |
| SCHEMBL144307 | 0.78 | EGLN1 (0.34) | — | |
| SCHEMBL9872762 | 0.78 | PGK1 (0.33) | — | |
| SCHEMBL7019396 | 0.78 | ALDH1A1 (0.32) | — | |
| SCHEMBL10519435 | 0.78 | EGLN1 (0.33) | — | |
| SCHEMBL9730432 | 0.78 | BRD9 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-RE39590-E1 | Substituted benzene compounds, process for their preparation, and herbicidal and defoliant compositions containing them | ISK AMERICAS INCORPORATED (US) | 2007-04-24 | — | — | US | disclosed |
| US-6545161-B2 | Potato and corn crops | ISK AMERICAS INCORPORATED | 2003-04-08 | — | — | US | disclosed |
| EP-1030843-A4 | SUBSTITUTED BENZENE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND HERBICIDAL AND DEFOLIANT COMPOSITIONS CONTAINING THEM | ISK AMERICAS INC (US) | 2002-11-06 | — | — | EP | disclosed |
| US-20020133007-A1 | Substituted benzene compounds, process for their preparation, and herbicidal and defoliant compositions containing them | ISK AMERICAS INCORPORATED | 2002-09-19 | — | — | US | disclosed |
| US-6355799-B1 | PREEMERGENT HERBICIDE FOR CEREAL CROP FIELDS, DEFOLIANT FOR POTATO AND COTTON PLANTS | ISK AMERICAS INCORPORATED | 2002-03-12 | — | — | US | disclosed |
| EP-1030843-A1 | SUBSTITUTED BENZENE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND HERBICIDAL AND DEFOLIANT COMPOSITIONS CONTAINING THEM | ISK Americas Incorporated (US) | 2000-08-30 | — | — | EP | disclosed |
| WO-1999021837-A1 | SUBSTITUTED BENZENE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND HERBICIDAL AND DEFOLIANT COMPOSITIONS CONTAINING THEM | ISK AMERICAS INCORPORATED (US) | 1999-05-06 | — | — | WO | disclosed |
| US-4985065-A | Tetrazolinone herbicides | FMC CORPORATION (US) | 1991-01-15 | — | — | US | disclosed |
| US-4885025-A | A PHENOXY-,-AMINO-,-ALKYLAMINO- OR -SULFIDO-SUBSTITUTED PHENYL ON THE NUMBER 1 RING NITROGEN | FMC CORPORATION (US) | 1989-12-05 | — | — | US | disclosed |