⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26424563 | 0.82 | NCF1 (0.31) | — | |
| SCHEMBL12395521 | 0.75 | TSHR (0.32) | — | |
| SCHEMBL21325201 | 0.74 | — | — | |
| SCHEMBL2882045 | 0.73 | — | — | |
| SCHEMBL11911962 | 0.73 | — | — | |
| SCHEMBL3416717 | 0.73 | — | — | |
| SCHEMBL13181525 | 0.73 | — | — | |
| SCHEMBL24723652 | 0.72 | — | — | |
| SCHEMBL20201961 | 0.72 | — | — | |
| SCHEMBL3423014 | 0.72 | PIK3CD (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230130909-A1 | HPK1 INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF | Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) | 2023-04-27 | — | — | US | disclosed |