⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31242692 | 0.96 | — | — | |
| SCHEMBL31242666 | 0.83 | KRAS (0.39) | — | |
| SCHEMBL31242437 | 0.82 | — | — | |
| SCHEMBL31242680 | 0.79 | — | — | |
| SCHEMBL31208949 | 0.79 | BRAF (0.34) | — | |
| SCHEMBL31209915 | 0.79 | BRAF (0.34) | — | |
| SCHEMBL31242761 | 0.79 | — | — | |
| SCHEMBL31085813 | 0.78 | HRH4 (0.32) | — | |
| SCHEMBL31242489 | 0.78 | KRAS (0.30) | — | |
| SCHEMBL31209108 | 0.78 | — | — |
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 |