⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8054914 | 0.91 | — | — | |
| SCHEMBL8550727 | 0.72 | SRC (0.35) | — | |
| SCHEMBL8551872 | 0.71 | SRC (0.38) | — | |
| SCHEMBL8041707 | 0.69 | ALDH1A1 (0.38) | — | |
| SCHEMBL8601462 | 0.68 | ALDH1A1 (0.36) | — | |
| SCHEMBL8550506 | 0.67 | CHRM2 (0.32) | — | |
| SCHEMBL5906267 | 0.66 | ALDH1A1 (0.39) | — | |
| SCHEMBL8550105 | 0.66 | CHRM2 (0.31) | — | |
| SCHEMBL8843267 | 0.66 | — | — | |
| SCHEMBL8843336 | 0.66 | HCAR1 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0728750-B1 | 1-Cycloalkenyltetrazolinones | BAYER AGROCHEM KK (JP) | 2000-05-17 | — | — | EP | disclosed |
| US-5654257-A | HERBICIDES | NIHON BAYER AGROCHEM K.K. (JP) | 1997-08-05 | — | — | US | disclosed |
| EP-0728750-A1 | 1-Cycloalkenyltetrazolinones | NIHON BAYER AGROCHEM K.K. (JP) | 1996-08-28 | — | — | EP | disclosed |