⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8082837 | 0.72 | — | — | |
| Trimethylammonium SCHEMBL27721182 | 0.62 | — | — | |
| SCHEMBL8083763 | 0.60 | — | — | |
| SCHEMBL8087143 | 0.60 | — | — | |
| Trimethylammonium SCHEMBL27718974 | 0.59 | — | — | |
| SCHEMBL14519710 | 0.55 | — | — | |
| SCHEMBL3340723 | 0.53 | — | — | |
| SCHEMBL3737332 | 0.53 | — | — | |
| Trimethylammonium SCHEMBL27504675 | 0.53 | — | — | |
| Trimethylammonium SCHEMBL10493519 | 0.53 | — | — |
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-2023134608-A1 | FUSED RING COMPOUNDS SERVING AS HPK1 INHIBITORS | 微境生物医药科技(上海)有限公司 | 2023-07-20 | — | — | WO | disclosed |