⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20155138 | 0.90 | MAPK14 (0.36) | — | |
| SCHEMBL20155508 | 0.87 | BRD4 (0.32) | — | |
| SCHEMBL20155590 | 0.83 | MAPK14 (0.36) | — | |
| SCHEMBL20155038 | 0.80 | BRD4 (0.42) | — | |
| SCHEMBL20155186 | 0.78 | TDO2 (0.31) | — | |
| SCHEMBL20155062 | 0.77 | MAPK14 (0.39) | — | |
| SCHEMBL20155584 | 0.74 | BRD4 (0.43) | — | |
| SCHEMBL20155583 | 0.74 | BRD4 (0.36) | — | |
| SCHEMBL20155156 | 0.74 | BPTF (0.33) | — | |
| SCHEMBL20155748 | 0.73 | MAPK14 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018086604-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATIONS THEREOF | 山东罗欣药业集团股份有限公司 | 2018-05-17 | — | — | WO | disclosed |