⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL169861 | 0.70 | — | — | |
| SCHEMBL831267 | 0.67 | — | — | |
| SCHEMBL4664085 | 0.62 | — | — | |
| Butadiene SCHEMBL11448161 | 0.60 | — | — | |
| SCHEMBL1161906 | 0.60 | — | — | |
| SCHEMBL11290406 | 0.58 | — | — | |
| SCHEMBL4663524 | 0.57 | — | — | |
| SCHEMBL8769390 | 0.55 | — | — | |
| Hydrochloric Acid SCHEMBL6655930 | 0.55 | — | — | |
| SCHEMBL1059659 | 0.55 | — | — |
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-2912022-B1 | SUBSTITUTED TRIAZOLES AS HERBICIDES | DU PONT (US) | 2016-11-23 | — | — | EP | disclosed |
| US-9302999-B2 | Substituted triazoles as herbicides | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2016-04-05 | — | — | US | disclosed |
| US-20150284343-A1 | SUBSTITUTED TRIAZOLES AS HERBICIDES | FMC CORPORATION | 2015-10-08 | — | — | US | disclosed |
| US-20150105252-A1 | SUBSTITUTED PYRAZOLES AS HERBICIDES | E. I. DU PONT DE NEMOURS AND COMPANY | 2015-04-16 | — | — | US | disclosed |