⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31242491 | 0.92 | — | — | |
| SCHEMBL31242736 | 0.90 | BRAF (0.31) | — | |
| SCHEMBL31242663 | 0.87 | — | — | |
| SCHEMBL31123180 | 0.86 | — | — | |
| SCHEMBL31123141 | 0.86 | MEN1 (0.30) | — | |
| SCHEMBL31242437 | 0.85 | — | — | |
| SCHEMBL31242512 | 0.78 | — | — | |
| SCHEMBL31242612 | 0.77 | — | — | |
| SCHEMBL33525863 | 0.76 | BRAF (0.33) | — | |
| SCHEMBL33526353 | 0.74 | LMNA (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-20240343736-A1 | KRAS INHIBITORS | ELI LILLY AND COMPANY | 2024-10-17 | — | — | US | disclosed |