⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22564619 | 0.79 | — | — | |
| SCHEMBL789620 | 0.72 | — | — | |
| SCHEMBL22219534 | 0.70 | — | — | |
| SCHEMBL20198455 | 0.70 | — | — | |
| SCHEMBL22237911 | 0.69 | METAP2 (0.30) | — | |
| SCHEMBL13607134 | 0.68 | — | — | |
| SCHEMBL14101451 | 0.68 | — | — | |
| SCHEMBL911054 | 0.65 | — | — | |
| SCHEMBL12247185 | 0.65 | — | — | |
| SCHEMBL18698709 | 0.65 | — | — |
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-2009123221-A1 | PYRIMIDINE DERIVATIVE HAVING CELL-PROTECTING ACTIVITY AND USE THEREOF | 全薬工業株式会社 (JP) | 2009-10-08 | — | — | WO | disclosed |