⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15760380 | 1.00 | — | — | |
| SCHEMBL15760312 | 0.84 | — | — | |
| SCHEMBL12213308 | 0.80 | GAA (0.31) | — | |
| SCHEMBL15760350 | 0.74 | — | — | |
| SCHEMBL15743726 | 0.70 | — | — | |
| SCHEMBL31737638 | 0.70 | — | — | |
| SCHEMBL20016966 | 0.70 | — | — | |
| SCHEMBL6628886 | 0.70 | — | — | |
| SCHEMBL21230409 | 0.70 | — | — | |
| SCHEMBL14535578 | 0.68 | — | — |
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-20240228511-A1 | SUBSTITUTED FUSED AZINES AS KRAS G12D INHIBITORS | ELI LILLY AND COMPANY | 2024-07-11 | — | — | US | disclosed |