⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10221 | 0.96 | — | — | |
| SCHEMBL10355207 | 0.96 | — | — | |
| SCHEMBL27976822 | 0.92 | — | — | |
| SCHEMBL26086390 | 0.85 | — | — | |
| Zinc Chloride SCHEMBL27727427 | 0.82 | — | — | |
| SCHEMBL28125717 | 0.82 | — | — | |
| SCHEMBL8923 | 0.80 | — | — | |
| SCHEMBL5297 | 0.80 | — | — | |
| SCHEMBL953022 | 0.79 | NOS3 (0.34) | — | |
| SCHEMBL6395060 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105102453-B | benzimidazolone derivatives as bromodomain inhibitors | 吉利德科学公司 | 2018-04-06 | — | — | CN | disclosed |
| CN-105102453-A | Benzimidazolone derivatives as bromodomain inhibitors | GILEAD SCIENCES INC | 2015-11-25 | — | — | CN | disclosed |