⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11278614 | 1.00 | — | — | |
| SCHEMBL11283849 | 0.81 | — | — | |
| SCHEMBL11283851 | 0.81 | — | — | |
| SCHEMBL11284919 | 0.71 | — | — | |
| SCHEMBL11279221 | 0.71 | — | — | |
| SCHEMBL11286616 | 0.67 | GSK3B (0.36) | — | |
| SCHEMBL11159376 | 0.65 | — | — | |
| SCHEMBL11280815 | 0.62 | GSK3B (0.33) | — | |
| SCHEMBL11283253 | 0.62 | KDM4E (0.32) | — | |
| SCHEMBL11163748 | 0.61 | NPSR1 (0.41) | — |
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-0013905-B1 | 4,5-DICHLORO-IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION AS HERBICIDES | BAYER AG (DE) | 1982-05-05 | — | — | EP | disclosed |
| EP-0013905-A1 | 4,5-Dichloro-imidazole derivatives, their preparation and their application as herbicides | BAYER AG (DE) | 1980-08-06 | — | — | EP | disclosed |