⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL214411 | 0.74 | — | — | |
| SCHEMBL28853742 | 0.74 | — | — | |
| SCHEMBL790312 | 0.74 | — | — | |
| SCHEMBL9064109 | 0.74 | — | — | |
| SCHEMBL6407837 | 0.70 | — | — | |
| SCHEMBL28104075 | 0.70 | — | — | |
| SCHEMBL11289814 | 0.70 | — | — | |
| SCHEMBL28164403 | 0.70 | — | — | |
| SCHEMBL9151612 | 0.67 | — | — | |
| SCHEMBL11240814 | 0.63 | — | — |
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-1997014685-A1 | PYRIMIDINE DERIVATIVES | GYÓGYSZERKUTATÓ INTÉZET KFT (HU) | 1997-04-24 | — | — | WO | disclosed |