⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23867679 | 0.88 | — | — | |
| SCHEMBL24462651 | 0.86 | — | — | |
| SCHEMBL24870793 | 0.86 | — | — | |
| SCHEMBL23867676 | 0.86 | — | — | |
| SCHEMBL24462653 | 0.83 | — | — | |
| SCHEMBL24040673 | 0.81 | TAS1R3 (0.31) | — | |
| SCHEMBL23969825 | 0.81 | — | — | |
| SCHEMBL23969832 | 0.81 | — | — | |
| SCHEMBL24462729 | 0.80 | GABRA1 (0.30) | — | |
| SCHEMBL23848380 | 0.79 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11345701-B1 | KRAS mutant protein inhibitors | JACOBIO PHARMACEUTICALS CO., LTD. (CN) | 2022-05-31 | — | — | US | disclosed |
| US-11161847-B2 | KRAS mutant protein inhibitors | JACOBIO PHARMACEUTICALS CO., LTD. (CN) | 2021-11-02 | — | — | US | disclosed |