⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8305026 | 0.76 | — | — | |
| SCHEMBL8307793 | 0.72 | — | — | |
| SCHEMBL8304986 | 0.70 | — | — | |
| SCHEMBL8302418 | 0.67 | KDM4E (0.33) | — | |
| SCHEMBL8303471 | 0.67 | — | — | |
| SCHEMBL8305311 | 0.64 | — | — | |
| SCHEMBL8305204 | 0.64 | NFE2L2 (0.31) | — | |
| SCHEMBL8689003 | 0.63 | MEN1 (0.38) | — | |
| SCHEMBL8603507 | 0.63 | RPS6KA5 (0.35) | — | |
| SCHEMBL8687317 | 0.63 | HSD11B1 (0.35) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0695748-B1 | Tetrazolinone herbicides | BAYER AGROCHEM KK (JP) | 1999-05-06 | — | — | EP | disclosed |
| US-5589439-A | HERBICIDES | NIHON BAYER AGROCHEM K.K. (JP) | 1996-12-31 | — | — | US | disclosed |
| EP-0695748-A1 | Tetrazolinone herbicides | NIHON BAYER AGROCHEM K.K. (JP) | 1996-02-07 | — | — | EP | disclosed |