⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25619071 | 1.00 | — | — | |
| SCHEMBL11957183 | 1.00 | — | — | |
| SCHEMBL12350247 | 1.00 | — | — | |
| SCHEMBL9873278 | 1.00 | — | — | |
| SCHEMBL1159371 | 1.00 | — | — | |
| SCHEMBL23733629 | 0.85 | — | — | |
| SCHEMBL22482485 | 0.85 | — | — | |
| SCHEMBL23715392 | 0.81 | CHRNB2 (0.32) | — | |
| SCHEMBL12324576 | 0.81 | CHRNB2 (0.32) | — | |
| SCHEMBL12323281 | 0.81 | CHRNB2 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0760368-B1 | PYRIMIDINE DERIVATIVES | NISSHIN FLOUR MILLING CO (JP) | 1999-07-28 | — | — | EP | disclosed |