⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23911697 | 0.87 | NPSR1 (0.31) | — | |
| SCHEMBL23911709 | 0.82 | P2RX4 (0.31) | — | |
| SCHEMBL12333422 | 0.81 | KDM4E (0.47) | — | |
| SCHEMBL23911721 | 0.80 | TSPO (0.32) | — | |
| SCHEMBL23431270 | 0.80 | LMNA (0.33) | — | |
| SCHEMBL22751672 | 0.79 | KDM4E (0.32) | — | |
| SCHEMBL23911726 | 0.78 | NR4A2 (0.32) | — | |
| SCHEMBL21889079 | 0.78 | KDM4E (0.44) | — | |
| SCHEMBL23911720 | 0.77 | — | — | |
| SCHEMBL14296782 | 0.77 | KDM4E (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20220020937-A1 | HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME | SAMSUNG DISPLAY CO., LTD. (KR) | 2022-01-20 | — | — | US | disclosed |
| US-11145823-B2 | Heterocyclic compound and organic light emitting device including the same | SAMSUNG DISPLAY CO., LTD. (KR) | 2021-10-12 | — | — | US | disclosed |