⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28935785 | 0.84 | MAPT (0.35) | — | |
| SCHEMBL30207696 | 0.84 | MAPT (0.35) | — | |
| SCHEMBL31484164 | 0.84 | MAPT (0.35) | — | |
| SCHEMBL28935744 | 0.83 | MAPT (0.34) | — | |
| SCHEMBL31484084 | 0.83 | MAPT (0.34) | — | |
| SCHEMBL30207698 | 0.83 | MAPT (0.34) | — | |
| SCHEMBL31484135 | 0.82 | — | — | |
| SCHEMBL28848961 | 0.81 | MAP4K1 (0.41) | — | |
| SCHEMBL31484108 | 0.81 | — | — | |
| SCHEMBL28935770 | 0.81 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-114940683-B | HPK1 inhibitors and uses thereof | 轩竹(北京)医药科技有限公司 | 2023-01-17 | — | — | CN | disclosed |
| CN-114940683-A | HPK1 inhibitors and uses thereof | 轩竹(北京)医药科技有限公司 | 2022-08-26 | — | — | CN | disclosed |