⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24699336 | 0.82 | HTT (0.35) | — | |
| SCHEMBL17233356 | 0.78 | NR3C1 (0.32) | — | |
| SCHEMBL31034259 | 0.76 | GPR3 (0.30) | — | |
| SCHEMBL29336239 | 0.76 | GPR3 (0.30) | — | |
| SCHEMBL31056198 | 0.76 | GPR3 (0.30) | — | |
| SCHEMBL29336031 | 0.73 | — | — | |
| SCHEMBL13451237 | 0.72 | — | — | |
| SCHEMBL29375857 | 0.72 | HSD17B1 (0.33) | — | |
| SCHEMBL1727000 | 0.72 | HSD17B1 (0.33) | — | |
| SCHEMBL1569413 | 0.68 | PNMT (0.34) | — |
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-2022212194-A1 | KHK INHIBITORS | GILEAD SCIENCES, INC. (US) | 2022-10-06 | — | — | WO | disclosed |