⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8057205 | 0.96 | — | — | |
| SCHEMBL8041737 | 0.79 | — | — | |
| SCHEMBL8041729 | 0.75 | — | — | |
| SCHEMBL8041715 | 0.70 | LMNA (0.39) | — | |
| SCHEMBL8302340 | 0.63 | LMNA (0.33) | — | |
| SCHEMBL8599564 | 0.63 | HSP90AA1 (0.39) | — | |
| SCHEMBL5906191 | 0.63 | ALDH1A1 (0.42) | — | |
| SCHEMBL8303900 | 0.62 | MAPT (0.36) | — | |
| SCHEMBL8306697 | 0.62 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL8308632 | 0.62 | — | — |
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 |