⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25572013 | 1.00 | — | — | |
| SCHEMBL13882144 | 0.94 | FBP1 (0.31) | — | |
| SCHEMBL12128761 | 0.90 | FBP1 (0.33) | — | |
| SCHEMBL26040764 | 0.88 | FBP1 (0.42) | — | |
| SCHEMBL25553231 | 0.88 | — | — | |
| SCHEMBL27282033 | 0.88 | SMPD1 (0.37) | — | |
| SCHEMBL25572012 | 0.87 | — | — | |
| SCHEMBL13521263 | 0.86 | — | — | |
| SCHEMBL25485084 | 0.84 | — | — | |
| SCHEMBL25572011 | 0.84 | — | — |
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-20180223281-A1 | STRUCTURALLY-ENHANCED miRNA INHIBITOR S-TuD | THE UNIVERSITY OF TOKYO (JP) | 2018-08-09 | — | — | US | disclosed |