⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23915747 | 0.85 | — | — | |
| SCHEMBL16890262 | 0.83 | DRD2 (0.30) | — | |
| SCHEMBL23915715 | 0.83 | — | — | |
| SCHEMBL23915784 | 0.80 | — | — | |
| SCHEMBL23915770 | 0.80 | — | — | |
| SCHEMBL24676886 | 0.79 | AHR (0.31) | — | |
| SCHEMBL16890267 | 0.78 | — | — | |
| SCHEMBL16890266 | 0.78 | CA12 (0.31) | — | |
| SCHEMBL23432166 | 0.78 | — | — | |
| SCHEMBL16889448 | 0.77 | — | — |
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-20230024114-A1 | ORGANIC LIGHT-EMITTING DEVICE | LG CHEM, LTD. (KR) | 2023-01-26 | — | — | US | disclosed |