⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7719601 | 0.67 | — | — | |
| SCHEMBL4948757 | 0.67 | — | — | |
| SCHEMBL28870627 | 0.64 | — | — | |
| SCHEMBL4515251 | 0.64 | — | — | |
| SCHEMBL4272132 | 0.64 | — | — | |
| SCHEMBL124769 | 0.64 | — | — | |
| SCHEMBL1227396 | 0.64 | — | — | |
| SCHEMBL8913082 | 0.62 | — | — | |
| SCHEMBL3991902 | 0.62 | — | — | |
| SCHEMBL7712057 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5622914-A | APPLYING A PYRAZOLYL OR IMIDAZOLYL QUINOLINE DERIVATIVE; PLANT DISEASE CONTROL | NIHON BAYER AGROCHEM K.K. (JP) | 1997-04-22 | — | — | US | disclosed |
| EP-0703234-A1 | Microbicidal Quinoline Derivatives | NIHON BAYER AGROCHEM K.K. (JP) | 1996-03-27 | — | — | EP | disclosed |