⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1260382 | 0.79 | — | — | |
| SCHEMBL3925169 | 0.78 | — | — | |
| SCHEMBL1234598 | 0.78 | — | — | |
| SCHEMBL23381225 | 0.77 | — | — | |
| SCHEMBL11424423 | 0.77 | — | — | |
| SCHEMBL1720452 | 0.77 | — | — | |
| SCHEMBL2438532 | 0.77 | — | — | |
| SCHEMBL1396276 | 0.74 | ALDH1A1 (0.30) | — | |
| SCHEMBL6363369 | 0.73 | — | — | |
| SCHEMBL21074198 | 0.72 | — | — |
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-110078743-A | Novel imidazoles-acyclic derivatives as modulators of kinase activity | 默克专利有限公司 | 2019-08-02 | — | — | CN | disclosed |