⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20154130 | 0.80 | HTR2A (0.33) | — | |
| SCHEMBL25599262 | 0.79 | — | — | |
| SCHEMBL19618677 | 0.78 | — | — | |
| SCHEMBL22402429 | 0.75 | KDM4E (0.32) | — | |
| SCHEMBL20334861 | 0.72 | USP2 (0.33) | — | |
| SCHEMBL14490234 | 0.71 | CYP1A2 (0.31) | — | |
| SCHEMBL2141526 | 0.71 | — | — | |
| Fluoride SCHEMBL19812463 | 0.69 | — | — | |
| SCHEMBL21076313 | 0.69 | — | — | |
| SCHEMBL15524650 | 0.69 | — | — |
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-3875450-A1 | NRF2 ACTIVATOR | Biogen MA Inc. (US) | 2021-09-08 | — | — | EP | disclosed |