⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21917106 | 0.93 | — | — | |
| SCHEMBL23969017 | 0.92 | KIF11 (0.30) | — | |
| SCHEMBL23968862 | 0.91 | CTSS (0.30) | — | |
| SCHEMBL21917695 | 0.90 | — | — | |
| SCHEMBL21917320 | 0.90 | TRPV4 (0.32) | — | |
| SCHEMBL23968919 | 0.87 | — | — | |
| SCHEMBL23969073 | 0.87 | PDE2A (0.39) | — | |
| SCHEMBL12149348 | 0.84 | MAPT (0.36) | — | |
| SCHEMBL23968957 | 0.84 | PDE3B (0.37) | — | |
| SCHEMBL23968853 | 0.84 | 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 |