⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16544508 | 0.83 | GRM2 (0.33) | — | |
| SCHEMBL13750403 | 0.77 | MAPK1 (0.33) | — | |
| SCHEMBL2600522 | 0.76 | CCNK (0.35) | — | |
| SCHEMBL12293237 | 0.76 | CYP17A1 (0.35) | — | |
| SCHEMBL21587664 | 0.75 | MAPK1 (0.46) | — | |
| SCHEMBL12293132 | 0.75 | CNR1 (0.38) | — | |
| SCHEMBL16544521 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL26319271 | 0.72 | MAPK1 (0.33) | — | |
| SCHEMBL22678981 | 0.72 | CNR2 (0.43) | — | |
| SCHEMBL26319273 | 0.72 | KCNH2 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023217879-A1 | PYRROLIDIONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE | JANSSEN PHARMACEUTICA NV (BE) | 2023-11-16 | — | — | WO | disclosed |
| US-11466013-B2 | ERK inhibitor and use thereof | BETTA PHARMACEUTICALS CO., LTD (CN) | 2022-10-11 | — | — | US | disclosed |