⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20155564 | 0.78 | — | — | |
| SCHEMBL20155527 | 0.75 | BPTF (0.33) | — | |
| SCHEMBL20060158 | 0.63 | TP53 (0.39) | — | |
| SCHEMBL29581778 | 0.62 | L3MBTL1 (0.44) | — | |
| SCHEMBL20155017 | 0.61 | MAPT (0.32) | — | |
| SCHEMBL21821631 | 0.61 | MAP1LC3B (0.39) | — | |
| SCHEMBL21822049 | 0.60 | MAP1LC3B (0.52) | — | |
| SCHEMBL21821674 | 0.59 | MAP1LC3B (0.34) | — | |
| SCHEMBL21821700 | 0.58 | MAP1LC3B (0.39) | — | |
| SCHEMBL3571914 | 0.58 | CDK4 (0.44) | — |
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 |