⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23965377 | 0.90 | — | — | |
| SCHEMBL23965054 | 0.87 | KDM4E (0.38) | — | |
| SCHEMBL23965144 | 0.86 | KDM4E (0.37) | — | |
| SCHEMBL23965324 | 0.86 | KDM4E (0.34) | — | |
| SCHEMBL22100219 | 0.86 | MEN1 (0.36) | — | |
| SCHEMBL21658350 | 0.86 | KDM4E (0.39) | — | |
| SCHEMBL23965274 | 0.85 | KDM4E (0.36) | — | |
| SCHEMBL23965323 | 0.85 | MEN1 (0.35) | — | |
| SCHEMBL21658351 | 0.85 | KDM4E (0.38) | — | |
| SCHEMBL22908030 | 0.85 | KDM4E (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20210336155-A1 | CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME | LG CHEM, LTD. (KR) | 2021-10-28 | — | — | US | disclosed |