⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5906372 | 0.71 | — | — | |
| SCHEMBL10640026 | 0.70 | — | — | |
| SCHEMBL7984645 | 0.67 | — | — | |
| SCHEMBL8915423 | 0.67 | NFE2L2 (0.31) | — | |
| SCHEMBL8603062 | 0.67 | NFE2L2 (0.31) | — | |
| SCHEMBL18882789 | 0.67 | SORT1 (0.41) | — | |
| SCHEMBL8684823 | 0.66 | — | — | |
| SCHEMBL6360026 | 0.66 | — | — | |
| SCHEMBL8915689 | 0.63 | XDH (0.32) | — | |
| SCHEMBL19135116 | 0.62 | NFE2L2 (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5668087-A | Herbicidal 1-alkenyltetrazolinones | NIHON BAYER AGROCHEM K.K. (JP) | 1997-09-16 | — | — | US | disclosed |
| EP-0733624-A1 | Herbicidal 1-alkenyltetrazolinones | NIHON BAYER AGROCHEM K.K. (JP) | 1996-09-25 | — | — | EP | disclosed |