⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17951892 | 0.84 | ESR1 (0.31) | — | |
| SCHEMBL23848682 | 0.83 | IMPDH2 (0.33) | — | |
| SCHEMBL8240741 | 0.81 | — | — | |
| SCHEMBL24462734 | 0.81 | — | — | |
| SCHEMBL23848774 | 0.78 | — | — | |
| SCHEMBL5587533 | 0.77 | ESR1 (0.31) | — | |
| SCHEMBL23848706 | 0.77 | ESR1 (0.34) | — | |
| SCHEMBL23867632 | 0.76 | IMPDH2 (0.30) | — | |
| SCHEMBL24462660 | 0.76 | — | — | |
| SCHEMBL24870542 | 0.76 | — | — |
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 |