⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23184863 | 0.96 | — | — | |
| SCHEMBL23738891 | 0.96 | — | — | |
| SCHEMBL23184037 | 0.93 | — | — | |
| SCHEMBL23184110 | 0.91 | SIRT2 (0.32) | — | |
| SCHEMBL23184448 | 0.90 | — | — | |
| SCHEMBL23184036 | 0.89 | KDM4E (0.31) | — | |
| SCHEMBL23184109 | 0.88 | — | — | |
| SCHEMBL23184861 | 0.88 | MAOA (0.30) | — | |
| SCHEMBL23184106 | 0.88 | — | — | |
| SCHEMBL23738759 | 0.87 | SIRT2 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3388438-B1 | SPIRO-STRUCTURED COMPOUND AND ORGANIC ELECTRONIC DEVICE COMPRISING SAME | LG CHEMICAL LTD (KR) | 2021-08-11 | — | — | EP | disclosed |