⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29993421 | 0.95 | — | — | |
| SCHEMBL16776724 | 0.95 | — | — | |
| SCHEMBL16776725 | 0.95 | — | — | |
| SCHEMBL32690450 | 0.86 | — | — | |
| SCHEMBL31675928 | 0.84 | — | — | |
| SCHEMBL31675861 | 0.84 | — | — | |
| SCHEMBL30672672 | 0.82 | — | — | |
| SCHEMBL18320895 | 0.82 | — | — | |
| SCHEMBL460689 | 0.82 | — | — | |
| SCHEMBL460688 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-102791716-B | 2,5,7-replaces oxazole pyrimidine derivatives | SAI NUOFEI (FR) | 2016-05-11 | — | — | CN | disclosed |