⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23968920 | 0.87 | — | — | |
| SCHEMBL21917320 | 0.85 | TRPV4 (0.32) | — | |
| SCHEMBL21917319 | 0.84 | PGR (0.31) | — | |
| SCHEMBL21917431 | 0.84 | CYP11B1 (0.38) | — | |
| SCHEMBL23969091 | 0.83 | AR (0.39) | — | |
| SCHEMBL21917087 | 0.82 | KCNJ1 (0.34) | — | |
| SCHEMBL21917670 | 0.82 | KCNJ1 (0.34) | — | |
| SCHEMBL21917695 | 0.82 | — | — | |
| SCHEMBL12149348 | 0.82 | MAPT (0.36) | — | |
| SCHEMBL23968853 | 0.82 | KDM4E (0.36) | — |
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 |