⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20692953 | 0.89 | NR3C2 (0.35) | — | |
| SCHEMBL9843752 | 0.82 | CHRM1 (0.38) | — | |
| SCHEMBL17891281 | 0.81 | ALDH1A1 (0.31) | — | |
| SCHEMBL20226502 | 0.80 | — | — | |
| SCHEMBL24199949 | 0.79 | NR3C2 (0.34) | — | |
| SCHEMBL903303 | 0.79 | — | — | |
| SCHEMBL39238 | 0.79 | GRM1 (0.37) | — | |
| SCHEMBL29538752 | 0.79 | GRM1 (0.37) | — | |
| SCHEMBL17891200 | 0.77 | ALDH1A1 (0.31) | — | |
| SCHEMBL900663 | 0.77 | PGR (0.32) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2621924-B1 | HERBICIDAL BENZOXAZINONES | BASF SE (DE) | 2015-03-04 | — | — | EP | disclosed |
| US-8669208-B2 | Herbicidal benzoxazinones | BASF SE (DE) | 2014-03-11 | — | — | US | disclosed |
| US-8669208-B2 | Herbicidal benzoxazinones | BASF SE (DE) | 2014-03-11 | — | — | US | disclosed |
| US-20130184155-A1 | Herbicidal Benzoxazinones | BASF SE (DE) | 2013-07-18 | — | — | US | disclosed |
| US-20130184155-A1 | Herbicidal Benzoxazinones | BASF SE (DE) | 2013-07-18 | — | — | US | disclosed |
| WO-2012041789-A1 | HERBICIDAL BENZOXAZINONES | BASF SE (DE) | 2012-04-05 | — | — | WO | disclosed |