⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8153188 | 0.90 | — | — | |
| SCHEMBL5940601 | 0.90 | — | — | |
| SCHEMBL5940598 | 0.88 | — | — | |
| SCHEMBL5935102 | 0.87 | — | — | |
| SCHEMBL6773760 | 0.87 | — | — | |
| SCHEMBL3470222 | 0.87 | — | — | |
| SCHEMBL3472441 | 0.87 | — | — | |
| SCHEMBL7036373 | 0.87 | — | — | |
| SCHEMBL6777466 | 0.86 | — | — | |
| SCHEMBL3470402 | 0.86 | — | — |
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-2002102769-A2 | METHODS FOR SYNTHESIZING SUBSTITUTED PYRIMIDINES | UNIVERSITY OF MASSACHUSETTS (US) | 2002-12-27 | — | — | WO | disclosed |