⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1965370 | 0.94 | — | — | |
| SCHEMBL1964313 | 0.88 | — | — | |
| SCHEMBL9614877 | 0.72 | — | — | |
| SCHEMBL11032358 | 0.72 | — | — | |
| SCHEMBL3861512 | 0.70 | — | — | |
| SCHEMBL28649701 | 0.69 | EPHX1 (0.36) | — | |
| SCHEMBL9242611 | 0.69 | EPHX1 (0.36) | — | |
| SCHEMBL13661313 | 0.69 | EPHX1 (0.32) | — | |
| SCHEMBL2578002 | 0.67 | SLC6A3 (0.33) | — | |
| SCHEMBL13661311 | 0.67 | EPHX1 (0.36) | — |
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-20110143939-A1 | QUINOXALIN-2-ONE DERIVATIVES, COMPOSITIONS WHICH PROTECT USEFUL PLANTS AND COMPRISE THESE DERIVATIVES, AND PROCESSES FOR THEIR PREPARATION AND THEIR USE | BAYER CROPSCIENCE AG (DE) | 2011-06-16 | — | — | US | disclosed |
| US-7332509-B2 | Heterocyclic amides, a process for their preparation, compositions comprising them and their use | MERIAL LIMITED (US) | 2008-02-19 | — | — | US | disclosed |
| US-20060173022-A1 | Heterocyclic amides, method for the production thereof, substances containing said heterocyclic amides, and use thereof as pesticides | BAYER CROPSCIENCE GMBH (DE) | 2006-08-03 | — | — | US | disclosed |
| US-20050256000-A1 | Quinoxalin-2-one derivatives, compositions which protect useful plants and comprise these derivatives, and processes for their preparation and their use | BAYER CROPSCIENCE GMBH (DE) | 2005-11-17 | — | — | US | disclosed |
| US-20040006047-A1 | Heterocyclic amides, a process for their preparation, compositions comprising them and their use | MERIAL LIMITED | 2004-01-08 | — | — | US | disclosed |