⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23739118 | 0.97 | — | — | |
| SCHEMBL23738835 | 0.92 | — | — | |
| SCHEMBL23185107 | 0.92 | KDM4E (0.31) | — | |
| SCHEMBL23738731 | 0.92 | SIRT2 (0.32) | — | |
| SCHEMBL23738729 | 0.90 | — | — | |
| SCHEMBL23738883 | 0.90 | CYP1A1 (0.30) | — | |
| SCHEMBL23738907 | 0.90 | JAK2 (0.31) | — | |
| SCHEMBL23739209 | 0.89 | SIRT2 (0.31) | — | |
| SCHEMBL23739045 | 0.89 | — | — | |
| SCHEMBL23184043 | 0.89 | KDM4E (0.31) | — |
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 |