⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21917688 | 0.92 | — | — | |
| SCHEMBL23968932 | 0.77 | — | — | |
| SCHEMBL21917127 | 0.76 | — | — | |
| SCHEMBL23968930 | 0.72 | KCNJ1 (0.36) | — | |
| SCHEMBL23969089 | 0.72 | KCNJ1 (0.36) | — | |
| SCHEMBL21917110 | 0.71 | — | — | |
| SCHEMBL21917686 | 0.69 | — | — | |
| SCHEMBL23968834 | 0.65 | — | — | |
| SCHEMBL23968953 | 0.63 | AR (0.41) | — | |
| SCHEMBL21917269 | 0.63 | USP8 (0.41) | — |
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-11165025-B2 | Compound and organic electronic element comprising same | LG CHEM, LTD. | 2021-11-02 | — | — | US | disclosed |