⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3970281 | 0.97 | — | — | |
| SCHEMBL28773535 | 0.70 | — | — | |
| SCHEMBL313089 | 0.70 | — | — | |
| SCHEMBL14734082 | 0.70 | — | — | |
| SCHEMBL2624071 | 0.67 | — | — | |
| SCHEMBL28508325 | 0.64 | — | — | |
| SCHEMBL24815607 | 0.64 | CA1 (0.30) | — | |
| SCHEMBL21598045 | 0.63 | ALDH1A1 (0.40) | — | |
| SCHEMBL14734060 | 0.62 | ALDH1A1 (0.33) | — | |
| SCHEMBL14734181 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105324379-B | Benzimidazole derivatives as bromodomain inhibitors | 吉利德科学公司 | 2018-12-04 | — | — | CN | disclosed |