⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25445965 | 0.91 | — | — | |
| SCHEMBL25445997 | 0.87 | CNR1 (0.31) | — | |
| SCHEMBL25445976 | 0.84 | AR (0.31) | — | |
| SCHEMBL25445987 | 0.83 | CNR1 (0.30) | — | |
| SCHEMBL25445956 | 0.82 | GAA (0.33) | — | |
| SCHEMBL25445963 | 0.80 | CNR1 (0.33) | — | |
| SCHEMBL25445947 | 0.79 | GAA (0.33) | — | |
| SCHEMBL26200761 | 0.79 | MAPK1 (0.33) | — | |
| SCHEMBL26000226 | 0.78 | NPC1 (0.33) | — | |
| SCHEMBL25884965 | 0.77 | CNR1 (0.30) | — |
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-20230348508-A1 | METAL COMPLEX, ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME, AND CONSUMER PRODUCT | BEIJING BAYI SPACE LIQUID CRYSTAL TECHNOLOGY CO. LTD. (CN) | 2023-11-02 | — | — | US | disclosed |
| US-20230322829-A1 | ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES | UNIVERSAL DISPLAY CORPORATION (US) | 2023-10-12 | — | — | US | disclosed |