⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25408836 | 0.74 | ALDH1A1 (0.30) | — | |
| SCHEMBL25411473 | 0.65 | MAT2A (0.41) | — | |
| SCHEMBL25412172 | 0.62 | MAT2A (0.41) | — | |
| SCHEMBL2247456 | 0.60 | RXFP1 (0.52) | — | |
| SCHEMBL29173402 | 0.59 | MAPT (0.50) | — | |
| SCHEMBL17974500 | 0.57 | ERN1 (0.58) | — | |
| SCHEMBL21617924 | 0.57 | KDM1A (0.38) | — | |
| SCHEMBL8887775 | 0.56 | TSHR (0.43) | — | |
| SCHEMBL29914933 | 0.56 | ERN1 (0.47) | — | |
| SCHEMBL27159949 | 0.56 | ERN1 (0.47) | — |
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-2023138612-A1 | HETEROCYCLIC COMPOUNDS USEFUL AS HPK1 INHIBITORS | SILEXON AI TECHNOLOGY CO., LTD. (CN) | 2023-07-27 | — | — | WO | disclosed |