⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2278073 | 0.80 | FFAR3 (0.40) | — | |
| SCHEMBL18506010 | 0.78 | FFAR3 (0.31) | — | |
| SCHEMBL27401161 | 0.78 | — | — | |
| SCHEMBL5159530 | 0.77 | HSD11B1 (0.37) | — | |
| SCHEMBL13640405 | 0.77 | HSD11B1 (0.34) | — | |
| SCHEMBL21803196 | 0.75 | MEN1 (0.30) | — | |
| SCHEMBL20640552 | 0.75 | — | — | |
| SCHEMBL5156157 | 0.75 | HSD11B1 (0.40) | — | |
| SCHEMBL19995806 | 0.73 | — | — | |
| SCHEMBL12399246 | 0.73 | KCNA4 (0.31) | — |
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-2023134765-A1 | FIVE-MEMBERED-RING-CONTAINING DERIVATIVES, PREPARATION METHOD THEREFOR, AND USES THEREOF | 上海翰森生物医药科技有限公司 | 2023-07-20 | — | — | WO | disclosed |