⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20615916 | 0.96 | — | — | |
| SCHEMBL15248662 | 0.94 | — | — | |
| SCHEMBL18518933 | 0.92 | KDM4E (0.30) | — | |
| SCHEMBL18518923 | 0.92 | KDM4E (0.30) | — | |
| SCHEMBL24558419 | 0.90 | — | — | |
| SCHEMBL22959448 | 0.89 | KDM4E (0.31) | — | |
| SCHEMBL18518166 | 0.89 | KDM4E (0.31) | — | |
| SCHEMBL23077173 | 0.89 | RAC2 (0.32) | — | |
| SCHEMBL18518811 | 0.89 | KDM4E (0.31) | — | |
| SCHEMBL23077152 | 0.88 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021043755-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2021-03-11 | — | — | WO | disclosed |
| US-20210040038-A1 | NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME | LG CHEM, LTD. (KR) | 2021-02-11 | — | — | US | disclosed |