⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19407932 | 0.96 | — | — | |
| SCHEMBL22967445 | 0.86 | — | — | |
| SCHEMBL22967861 | 0.86 | — | — | |
| SCHEMBL22969953 | 0.75 | — | — | |
| SCHEMBL19402441 | 0.75 | JAK3 (0.39) | — | |
| SCHEMBL17571757 | 0.75 | JAK3 (0.39) | — | |
| SCHEMBL19139243 | 0.75 | JAK3 (0.39) | — | |
| SCHEMBL22967655 | 0.75 | — | — | |
| SCHEMBL22967447 | 0.74 | ALDH1A1 (0.36) | — | |
| SCHEMBL2625057 | 0.73 | JAK3 (0.38) | — |
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-20210040089-A1 | KRAS MUTANT PROTEIN INHIBITORS | JACOBIO PHARMACEUTICALS CO., LTD. | 2021-02-11 | — | — | US | disclosed |