⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24050462 | 0.83 | — | — | |
| SCHEMBL24087247 | 0.77 | — | — | |
| SCHEMBL17540951 | 0.77 | — | — | |
| SCHEMBL17541197 | 0.77 | — | — | |
| SCHEMBL18618035 | 0.77 | — | — | |
| SCHEMBL20445154 | 0.77 | — | — | |
| SCHEMBL25008010 | 0.76 | TOP2A (0.33) | — | |
| SCHEMBL19158185 | 0.76 | TSHR (0.33) | — | |
| SCHEMBL27966337 | 0.74 | ALK (0.33) | — | |
| SCHEMBL26815097 | 0.71 | TOP2A (0.37) | — |
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-2021214472-A1 | TETRAHYDROISOQUINOLINE COMPOUNDS AS NRF2 ACTIVATORS | C4X DISCOVERY LIMITED (GB) | 2021-10-28 | — | — | WO | disclosed |