⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21543096 | 0.77 | MAPT (0.37) | — | |
| SCHEMBL18600369 | 0.67 | NFKB1 (0.33) | — | |
| SCHEMBL18091685 | 0.67 | HSD17B10 (0.40) | — | |
| SCHEMBL34461295 | 0.64 | SSTR4 (0.35) | — | |
| SCHEMBL18651054 | 0.63 | PPARA (0.43) | — | |
| SCHEMBL16529385 | 0.63 | SYK (0.38) | — | |
| SCHEMBL16529335 | 0.63 | SYK (0.42) | — | |
| SCHEMBL13199838 | 0.63 | AAK1 (0.35) | — | |
| SCHEMBL18651053 | 0.63 | ALDH1A1 (0.42) | — | |
| SCHEMBL13199839 | 0.62 | PDPK1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3788038-B1 | KRAS G12C INHIBITORS AND METHODS OF USING THE SAME | AMGEN INC (US) | 2023-10-11 | — | — | EP | disclosed |