⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7398587 | 0.70 | — | — | |
| SCHEMBL14968770 | 0.68 | — | — | |
| SCHEMBL28160730 | 0.65 | — | — | |
| SCHEMBL28210342 | 0.65 | — | — | |
| SCHEMBL1007088 | 0.64 | — | — | |
| SCHEMBL2318748 | 0.62 | — | — | |
| SCHEMBL30141205 | 0.61 | — | — | |
| SCHEMBL28858422 | 0.60 | — | — | |
| SCHEMBL1006954 | 0.59 | — | — | |
| SCHEMBL1007868 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20170226529-A1 | PLANTS HAVING INCREASED TOLERANCE TO HERBICIDES | BASF SE (DE) | 2017-08-10 | — | — | US | disclosed |
| US-20140309115-A1 | Substituted 1,2,5-oxadiazole compounds and their use as herbicides III | BASF SE (DE) | 2014-10-16 | — | — | US | disclosed |
| US-20110118236-A1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-05-19 | — | — | US | disclosed |
| EP-2269990-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2011-01-05 | — | — | EP | disclosed |