⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23959177 | 0.81 | NOTUM (0.31) | — | |
| SCHEMBL25174446 | 0.77 | — | — | |
| SCHEMBL24175256 | 0.76 | — | — | |
| SCHEMBL23508033 | 0.67 | SLC9A1 (0.31) | — | |
| SCHEMBL24175255 | 0.66 | LMNA (0.33) | — | |
| SCHEMBL30142922 | 0.66 | — | — | |
| SCHEMBL24175276 | 0.65 | ALDH1A1 (0.37) | — | |
| SCHEMBL24768430 | 0.64 | — | — | |
| SCHEMBL24175266 | 0.64 | GABRB3 (0.30) | — | |
| Hydrochloric Acid SCHEMBL31181784 | 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 |
|---|---|---|---|---|---|---|---|
| WO-2021214472-A1 | TETRAHYDROISOQUINOLINE COMPOUNDS AS NRF2 ACTIVATORS | C4X DISCOVERY LIMITED (GB) | 2021-10-28 | — | — | WO | disclosed |