⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14549683 | 0.79 | CAMKK1 (0.35) | — | |
| SCHEMBL26253554 | 0.78 | PDE4A (0.39) | — | |
| SCHEMBL4569754 | 0.77 | TNKS (0.33) | — | |
| SCHEMBL23107319 | 0.77 | CCR1 (0.42) | — | |
| SCHEMBL18510392 | 0.75 | ENPP3 (0.42) | — | |
| SCHEMBL13482934 | 0.75 | NCF1 (0.37) | — | |
| SCHEMBL25590047 | 0.75 | PDE4A (0.31) | — | |
| SCHEMBL12913570 | 0.75 | PDE4A (0.31) | — | |
| SCHEMBL22133201 | 0.72 | SLC40A1 (0.38) | — | |
| SCHEMBL20209705 | 0.72 | ENPP3 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20130165475-A1 | DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS | ASCEPION PHARMACEUTICALS, INC. (CN) | 2013-06-27 | — | — | US | disclosed |