⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19988320 | 0.80 | — | — | |
| SCHEMBL20160163 | 0.78 | — | — | |
| SCHEMBL19074556 | 0.76 | — | — | |
| SCHEMBL24816824 | 0.74 | — | — | |
| SCHEMBL21725810 | 0.74 | — | — | |
| SCHEMBL8320863 | 0.73 | KEAP1 (0.33) | — | |
| SCHEMBL27694843 | 0.73 | KEAP1 (0.33) | — | |
| SCHEMBL19061847 | 0.73 | — | — | |
| SCHEMBL16907897 | 0.73 | — | — | |
| SCHEMBL13939811 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10695347-B2 | Pyrimidine derivative and use thereof | HUBEI BIO-PHARMACEUTICAL INDUSTRIAL TECHNOLOGICAL INSTITUTE, INC. (CN) | 2020-06-30 | — | — | US | disclosed |