⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20282211 | 0.80 | — | — | |
| SCHEMBL1697359 | 0.78 | KMT2A (0.33) | — | |
| SCHEMBL22625743 | 0.77 | — | — | |
| SCHEMBL23644578 | 0.71 | GLRA1 (0.32) | — | |
| SCHEMBL22625779 | 0.69 | PHF8 (0.34) | — | |
| SCHEMBL64125 | 0.69 | — | — | |
| SCHEMBL19782101 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL9642490 | 0.69 | — | — | |
| SCHEMBL18598954 | 0.69 | — | — | |
| SCHEMBL22664246 | 0.67 | KDM4E (0.33) | — |
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-2010113834-A1 | PYRIMIDINE COMPOUND | アステラス製薬株式会社 (JP) | 2010-10-07 | — | — | WO | disclosed |