⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23739064 | 0.96 | — | — | |
| SCHEMBL23184199 | 0.94 | — | — | |
| SCHEMBL23738878 | 0.91 | TDP1 (0.30) | — | |
| SCHEMBL23184178 | 0.90 | PTGER4 (0.31) | — | |
| SCHEMBL23184196 | 0.90 | — | — | |
| SCHEMBL23184009 | 0.88 | PTGER4 (0.31) | — | |
| SCHEMBL23738771 | 0.86 | — | — | |
| SCHEMBL23738879 | 0.86 | SIRT2 (0.30) | — | |
| SCHEMBL23184176 | 0.85 | SIRT2 (0.31) | — | |
| SCHEMBL23184890 | 0.85 | KDM4E (0.30) | — |
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 |