⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21917677 | 0.91 | KDM4E (0.33) | — | |
| SCHEMBL23968945 | 0.90 | AR (0.37) | — | |
| SCHEMBL23968825 | 0.90 | AR (0.37) | — | |
| SCHEMBL23968838 | 0.86 | CTSS (0.30) | — | |
| SCHEMBL23968978 | 0.86 | CTSS (0.30) | — | |
| SCHEMBL21917682 | 0.83 | AR (0.35) | — | |
| SCHEMBL23968982 | 0.83 | AR (0.35) | — | |
| SCHEMBL23969077 | 0.83 | AR (0.37) | — | |
| SCHEMBL21917290 | 0.83 | S1PR1 (0.33) | — | |
| SCHEMBL21917334 | 0.80 | NTRK1 (0.35) | — |
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 |