⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23848686 | 0.91 | IMPDH2 (0.31) | — | |
| SCHEMBL24040556 | 0.91 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL23848684 | 0.87 | IMPDH2 (0.31) | — | |
| SCHEMBL24462734 | 0.86 | — | — | |
| SCHEMBL24462657 | 0.84 | IMPDH2 (0.33) | — | |
| SCHEMBL29057400 | 0.83 | HPGD (0.35) | — | |
| SCHEMBL24040558 | 0.83 | IMPDH2 (0.35) | — | |
| SCHEMBL24040676 | 0.83 | IMPDH2 (0.32) | — | |
| SCHEMBL23867632 | 0.82 | IMPDH2 (0.30) | — | |
| SCHEMBL23848682 | 0.79 | IMPDH2 (0.33) | — |
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-20230011726-A1 | KRAS mutant protein inhibitors | JACOBIO PHARMACEUTICALS CO LTD (CN) | 2023-01-12 | — | — | US | disclosed |