⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8041707 | 0.90 | ALDH1A1 (0.38) | — | |
| SCHEMBL8041713 | 0.75 | — | — | |
| SCHEMBL8601462 | 0.68 | ALDH1A1 (0.36) | — | |
| SCHEMBL8054882 | 0.65 | — | — | |
| SCHEMBL8843336 | 0.63 | HCAR1 (0.36) | — | |
| SCHEMBL8036969 | 0.62 | NFE2L2 (0.31) | — | |
| SCHEMBL8842637 | 0.61 | ALDH1A1 (0.38) | — | |
| SCHEMBL8842403 | 0.61 | HTT (0.31) | — | |
| SCHEMBL8843329 | 0.60 | JAK2 (0.38) | — | |
| SCHEMBL8025243 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0728750-B1 | 1-Cycloalkenyltetrazolinones | BAYER AGROCHEM KK (JP) | 2000-05-17 | — | — | EP | disclosed |
| EP-0728750-A1 | 1-Cycloalkenyltetrazolinones | NIHON BAYER AGROCHEM K.K. (JP) | 1996-08-28 | — | — | EP | disclosed |