⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4751475 | 0.87 | CDK4 (0.32) | — | |
| SCHEMBL4753554 | 0.80 | PDE10A (0.32) | — | |
| SCHEMBL4754879 | 0.71 | HTR6 (0.40) | — | |
| SCHEMBL1134996 | 0.66 | ALDH1A1 (0.33) | — | |
| SCHEMBL15560648 | 0.63 | NR3C1 (0.33) | — | |
| SCHEMBL18717061 | 0.62 | NR3C1 (0.33) | — | |
| SCHEMBL30326075 | 0.57 | ALDH1A1 (0.40) | — | |
| SCHEMBL28988161 | 0.57 | ALDH1A1 (0.40) | — | |
| SCHEMBL23624330 | 0.56 | ALDH1A1 (0.40) | — | |
| SCHEMBL15719155 | 0.54 | ADORA2A (0.45) | — |
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-2008144253-A1 | PROTEIN KINASE INHIBITORS AND METHODS FOR USING THEREOF | IRM LLC (BM) | 2008-11-27 | — | — | WO | disclosed |