⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12959786 | 0.82 | ALDH1A1 (0.35) | — | |
| SCHEMBL10504776 | 0.77 | ALDH1A1 (0.47) | — | |
| SCHEMBL3954790 | 0.73 | LMNA (0.33) | — | |
| SCHEMBL3958120 | 0.73 | LMNA (0.33) | — | |
| SCHEMBL16689103 | 0.72 | TNKS2 (0.31) | — | |
| Dioxane SCHEMBL30832966 | 0.66 | — | — | |
| SCHEMBL600787 | 0.64 | — | — | |
| SCHEMBL2697111 | 0.64 | — | — | |
| SCHEMBL62597 | 0.64 | — | — | |
| SCHEMBL3221 | 0.64 | — | — |
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-2011062885-A1 | FUSED BICYCLIC PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF | SCHERING CORPORATION (US) | 2011-05-26 | — | — | WO | disclosed |