⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17714942 | 0.88 | KDM4E (0.32) | — | |
| SCHEMBL21319865 | 0.87 | KDM4E (0.31) | — | |
| SCHEMBL21320456 | 0.86 | KDM4E (0.31) | — | |
| SCHEMBL21320127 | 0.85 | — | — | |
| SCHEMBL17714890 | 0.85 | KDM4E (0.35) | — | |
| SCHEMBL21320389 | 0.85 | GRM5 (0.34) | — | |
| SCHEMBL8737385 | 0.84 | — | — | |
| SCHEMBL19061509 | 0.84 | KDM4E (0.35) | — | |
| SCHEMBL17915715 | 0.83 | KDM4E (0.32) | — | |
| SCHEMBL17714885 | 0.83 | KDM4E (0.35) | — |
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-3015465-B1 | HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME | LG CHEMICAL LTD (KR) | 2019-09-04 | — | — | EP | disclosed |