⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15769887 | 0.82 | TSHR (0.37) | — | |
| SCHEMBL15769884 | 0.82 | TSHR (0.37) | — | |
| SCHEMBL15786501 | 0.81 | — | — | |
| SCHEMBL15783538 | 0.79 | — | — | |
| SCHEMBL24447200 | 0.78 | ALDH1A1 (0.30) | — | |
| SCHEMBL31285741 | 0.77 | — | — | |
| SCHEMBL23178902 | 0.77 | — | — | |
| SCHEMBL18557449 | 0.74 | DPP4 (0.30) | — | |
| SCHEMBL24357927 | 0.73 | — | — | |
| SCHEMBL24541536 | 0.73 | PRKCA (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-2021057832-A1 | KRAS MUTANT PROTEIN INHIBITOR | JACOBIO PHARMACEUTICALS CO., LTD. (CN) | 2021-04-01 | — | — | WO | disclosed |