⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22967657 | 0.93 | MEN1 (0.32) | — | |
| SCHEMBL22967931 | 0.93 | MEN1 (0.35) | — | |
| SCHEMBL11989201 | 0.91 | MEN1 (0.37) | — | |
| SCHEMBL18177230 | 0.91 | KCNH2 (0.33) | — | |
| SCHEMBL15496992 | 0.80 | LMNA (0.33) | — | |
| SCHEMBL12437271 | 0.76 | LMNA (0.41) | — | |
| SCHEMBL26004583 | 0.74 | — | — | |
| SCHEMBL12717845 | 0.74 | SLC6A9 (0.32) | — | |
| SCHEMBL22967420 | 0.73 | — | — | |
| SCHEMBL22967467 | 0.71 | FTO (0.30) | — |
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-20210040089-A1 | KRAS MUTANT PROTEIN INHIBITORS | JACOBIO PHARMACEUTICALS CO., LTD. | 2021-02-11 | — | — | US | disclosed |