⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13663011 | 0.80 | CDK1 (0.35) | — | |
| SCHEMBL4307060 | 0.61 | GAA (0.30) | — | |
| SCHEMBL14014418 | 0.58 | IKBKB (0.47) | — | |
| SCHEMBL31330037 | 0.58 | CDK1 (0.37) | — | |
| SCHEMBL23122695 | 0.57 | HPGD (0.38) | — | |
| SCHEMBL15705506 | 0.56 | — | — | |
| SCHEMBL2766415 | 0.56 | CDK1 (0.46) | — | |
| SCHEMBL439985 | 0.55 | PDE10A (0.39) | — | |
| SCHEMBL23547549 | 0.54 | CDK1 (0.50) | — | |
| SCHEMBL7289687 | 0.54 | CDK1 (0.51) | — |
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-20090270443-A1 | 1-AMINO IMIDAZO-CONTAINING COMPOUNDS AND METHODS | COLEY PHARMACEUTICAL GROUP, INC. | 2009-10-29 | — | — | US | disclosed |