⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5409067 | 0.83 | — | — | |
| SCHEMBL576072 | 0.80 | — | — | |
| SCHEMBL16978012 | 0.78 | — | — | |
| Ammonia Solution, Strong SCHEMBL7240809 | 0.77 | — | — | |
| SCHEMBL14942841 | 0.75 | — | — | |
| SCHEMBL10238110 | 0.67 | — | — | |
| SCHEMBL20594214 | 0.67 | — | — | |
| SCHEMBL2969890 | 0.67 | — | — | |
| SCHEMBL12039846 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL7002268 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3305790-B1 | METHOD FOR PREPARING IMIDAZOLE DERIVATIVE AND INTERMEDIATE THEREOF AND CRYSTAL FORM | SHANGDONG DANHONG PHARMACEUTICAL CO LTD (CN) | 2020-08-05 | — | — | EP | disclosed |