⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12215115 | 0.85 | F2 (0.35) | — | |
| SCHEMBL12215107 | 0.80 | F2 (0.56) | — | |
| SCHEMBL7464004 | 0.77 | ALDH1A1 (0.38) | — | |
| SCHEMBL18055622 | 0.67 | — | — | |
| SCHEMBL19670767 | 0.67 | HTT (0.34) | — | |
| SCHEMBL3439745 | 0.65 | CYP3A4 (0.31) | — | |
| SCHEMBL25138834 | 0.64 | — | — | |
| SCHEMBL7469851 | 0.63 | ALDH1A1 (0.41) | — | |
| SCHEMBL12215117 | 0.62 | GSK3A (0.33) | — | |
| SCHEMBL15154496 | 0.61 | CRBN (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2395843-B1 | ENCAPSULATION OF HERBICIDES TO REDUCE CROP INJURY | MONSANTO TECHNOLOGY LLC (US) | 2017-08-09 | — | — | EP | disclosed |
| WO-2012024524-A1 | EARLY APPLICATIONS OF ENCAPSULATED ACETAMIDES FOR REDUCED INJURY IN CROPS | MONSANTO TECHNOLOGY LLC (US) | 2012-02-23 | — | — | WO | disclosed |
| US-20100248963-A1 | Encapsulation of Herbicides to Reduce Crop Injury | MONSANTO TECHNOLOGY LLC (US) | 2010-09-30 | — | — | US | disclosed |
| WO-2010093970-A2 | ENCAPSULATION OF HERBICIDES TO REDUCE CROP INJURY | MONSANTO TECHNOLOGY LLC (US) | 2010-08-19 | — | — | WO | disclosed |