⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8036921 | 0.87 | — | — | |
| SCHEMBL8035232 | 0.85 | — | — | |
| SCHEMBL8036969 | 0.78 | NFE2L2 (0.31) | — | |
| SCHEMBL8038845 | 0.69 | NFE2L2 (0.30) | — | |
| SCHEMBL8842712 | 0.67 | JAK2 (0.39) | — | |
| SCHEMBL8601462 | 0.66 | ALDH1A1 (0.36) | — | |
| SCHEMBL8025250 | 0.63 | — | — | |
| SCHEMBL8843336 | 0.61 | HCAR1 (0.36) | — | |
| SCHEMBL8059809 | 0.60 | — | — | |
| SCHEMBL8036879 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0712850-B1 | Herbicidal novel 1-cyclopropyl tetrazolinones | BAYER AGROCHEM KK (JP) | 2000-04-05 | — | — | EP | disclosed |
| US-5650374-A | PREEMERGENCE OR POSTEMERGENCE HERBICIDES | NIHON BAYER AGROCHEM K.K. (JP) | 1997-07-22 | — | — | US | disclosed |
| EP-0712850-A1 | Herbicidal novel 1-cyclopropyl tetrazolinones | NIHON BAYER AGROCHEM K.K. (JP) | 1996-05-22 | — | — | EP | disclosed |