⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23132979 | 0.78 | NOS3 (0.33) | — | |
| SCHEMBL23089579 | 0.76 | KCNH2 (0.32) | — | |
| SCHEMBL29239422 | 0.75 | SCN9A (0.30) | — | |
| SCHEMBL23104734 | 0.73 | GSK3B (0.36) | — | |
| SCHEMBL29239402 | 0.72 | NCEH1 (0.31) | — | |
| SCHEMBL28957815 | 0.67 | GPBAR1 (0.35) | — | |
| SCHEMBL23089222 | 0.57 | CNR2 (0.32) | — | |
| SCHEMBL29150549 | 0.57 | PARP1 (0.31) | — | |
| SCHEMBL31330381 | 0.56 | CNR2 (0.38) | — | |
| SCHEMBL28876608 | 0.56 | ALDH1A1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-117915912-A | HPK1 antagonists and uses thereof | 林伯士萨顿公司 | 2024-04-19 | — | — | CN | disclosed |