⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26828318 | 0.90 | HSD11B1 (0.31) | — | |
| SCHEMBL26828515 | 0.89 | — | — | |
| SCHEMBL26828388 | 0.86 | — | — | |
| SCHEMBL26828474 | 0.83 | MAPT (0.32) | — | |
| SCHEMBL26828460 | 0.78 | MAPT (0.33) | — | |
| SCHEMBL26828486 | 0.65 | — | — | |
| SCHEMBL4740694 | 0.63 | CYP19A1 (0.35) | — | |
| SCHEMBL1378886 | 0.63 | CYP19A1 (0.31) | — | |
| SCHEMBL16473221 | 0.60 | DDB1 (0.46) | — | |
| SCHEMBL4822634 | 0.59 | — | — |
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-20230382935-A1 | COMPOUND CONTAINING 1,3-DIKETONE LIGAND AND APPLICATION THEREOF, AND ORGANIC ELECTROLUMINESCENT DEVICE | BEIJING GREEN GUARDEE TECHNOLOGY CO., LTD. (CN) | 2023-11-30 | — | — | US | disclosed |
| US-20230382935-A1 | COMPOUND CONTAINING 1,3-DIKETONE LIGAND AND APPLICATION THEREOF, AND ORGANIC ELECTROLUMINESCENT DEVICE | BEIJING GREEN GUARDEE TECHNOLOGY CO., LTD. (CN) | 2023-11-30 | — | — | US | disclosed |