⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23184156 | 0.96 | — | — | |
| SCHEMBL23738742 | 0.92 | KDM4E (0.31) | — | |
| SCHEMBL23738767 | 0.90 | KDM4E (0.30) | — | |
| SCHEMBL23738748 | 0.88 | — | — | |
| SCHEMBL23184991 | 0.88 | KDM4E (0.31) | — | |
| SCHEMBL20619063 | 0.88 | PTGES (0.30) | — | |
| SCHEMBL23814907 | 0.87 | PTGES (0.30) | — | |
| SCHEMBL23183982 | 0.86 | KDM4E (0.33) | — | |
| SCHEMBL23183966 | 0.86 | — | — | |
| SCHEMBL19299217 | 0.85 | — | — |
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 |