⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29790370 | 0.74 | — | — | |
| SCHEMBL29707258 | 0.74 | PIK3CD (0.41) | — | |
| SCHEMBL29707234 | 0.67 | DYRK1A (0.50) | — | |
| SCHEMBL3826204 | 0.61 | ABL1 (0.44) | — | |
| SCHEMBL28554375 | 0.61 | MAPK1 (0.42) | — | |
| SCHEMBL29707256 | 0.61 | MAPK1 (0.42) | — | |
| SCHEMBL29707238 | 0.60 | RAB9A (0.37) | — | |
| SCHEMBL29707229 | 0.59 | FLT3 (0.38) | — | |
| SCHEMBL632053 | 0.59 | ASIC3 (0.59) | — | |
| SCHEMBL557100 | 0.59 | ABL1 (0.36) | — |
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-113372345-B | Deuterated heterocyclic kinase inhibitors | 山东轩竹医药科技有限公司 | 2022-08-16 | — | — | CN | disclosed |