⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL130679 | 0.72 | — | — | |
| SCHEMBL12610916 | 0.69 | — | — | |
| SCHEMBL9357459 | 0.69 | — | — | |
| SCHEMBL14959988 | 0.67 | — | — | |
| SCHEMBL24236488 | 0.67 | — | — | |
| SCHEMBL13691963 | 0.67 | — | — | |
| SCHEMBL13586847 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL28235083 | 0.65 | ALDH1A1 (0.31) | — | |
| SCHEMBL2377684 | 0.63 | — | — | |
| SCHEMBL9498044 | 0.63 | — | — |
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 |