⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27287211 | 0.76 | — | — | |
| SCHEMBL23747634 | 0.71 | — | — | |
| SCHEMBL14388008 | 0.70 | — | — | |
| SCHEMBL19300330 | 0.69 | — | — | |
| SCHEMBL25867936 | 0.69 | — | — | |
| SCHEMBL27281040 | 0.68 | — | — | |
| SCHEMBL20133484 | 0.67 | — | — | |
| SCHEMBL25164614 | 0.67 | — | — | |
| SCHEMBL17736551 | 0.67 | — | — | |
| SCHEMBL6583399 | 0.67 | TSHR (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024076674-A1 | HETEROCYCLIC INHIBITORS OF KRAS G12C MUTANT PROTEINS AND USES THEREOF | AMGEN INC. (US) | 2024-04-11 | — | — | WO | disclosed |