⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24377599 | 0.57 | — | — | |
| SCHEMBL25785329 | 0.55 | — | — | |
| SCHEMBL12574036 | 0.53 | — | — | |
| SCHEMBL310712 | 0.52 | — | — | |
| SCHEMBL761830 | 0.52 | — | — | |
| SCHEMBL702777 | 0.50 | — | — | |
| SCHEMBL23768459 | 0.50 | — | — | |
| SCHEMBL24440029 | 0.50 | PNMT (0.31) | — | |
| SCHEMBL7863270 | 0.48 | — | — | |
| SCHEMBL1208896 | 0.47 | — | — |
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-2022256459-A1 | KRAS MODULATORS AND USES THEREOF | QUANTA THERAPEUTICS, INC. (US) | 2022-12-08 | — | — | WO | disclosed |