⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18629226 | 0.91 | DCK (0.31) | — | |
| SCHEMBL22838097 | 0.90 | CYP2C9 (0.32) | — | |
| SCHEMBL18051888 | 0.87 | PIM1 (0.39) | — | |
| SCHEMBL10304064 | 0.79 | PTPN11 (0.42) | — | |
| SCHEMBL18629001 | 0.77 | PDK1 (0.38) | — | |
| SCHEMBL18629110 | 0.76 | IDO1 (0.33) | — | |
| SCHEMBL24059785 | 0.74 | — | — | |
| SCHEMBL24059747 | 0.72 | IDO1 (0.30) | — | |
| SCHEMBL21014903 | 0.71 | NPC1 (0.31) | — | |
| SCHEMBL16728464 | 0.69 | PTPN11 (0.43) | — |
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-3427738-B1 | INHIBITORS OF INFLUENZA VIRUSES REPLICATION | VERTEX PHARMA (US) | 2021-12-01 | — | — | EP | disclosed |