⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1051659 | 0.97 | — | — | |
| Toluene SCHEMBL28585967 | 0.80 | MEN1 (0.46) | — | |
| SCHEMBL21750379 | 0.79 | ALDH1A1 (0.63) | — | |
| SCHEMBL21809422 | 0.79 | ALDH1A1 (0.63) | — | |
| SCHEMBL1050435 | 0.78 | — | — | |
| SCHEMBL23198 | 0.77 | — | — | |
| SCHEMBL386756 | 0.75 | — | — | |
| SCHEMBL27757948 | 0.75 | NPSR1 (0.46) | — | |
| SCHEMBL7208408 | 0.75 | — | — | |
| SCHEMBL166975 | 0.75 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106866543-B | A method of benzimidazole compound is catalyzed and synthesized under microwave radiation in water phase | 福建医科大学 | 2019-05-14 | — | — | CN | claimed |