⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22739658 | 0.96 | TBK1 (0.30) | — | |
| SCHEMBL22742200 | 0.94 | TBK1 (0.32) | — | |
| SCHEMBL22742442 | 0.92 | TNKS (0.34) | — | |
| SCHEMBL22739354 | 0.92 | UGT2B7 (0.34) | — | |
| SCHEMBL22740453 | 0.91 | IGLV6-57 (0.30) | — | |
| SCHEMBL22741116 | 0.91 | KDM4E (0.32) | — | |
| SCHEMBL22739431 | 0.90 | TBK1 (0.33) | — | |
| SCHEMBL22740970 | 0.89 | TBK1 (0.31) | — | |
| SCHEMBL21870188 | 0.89 | DYRK1A (0.33) | — | |
| SCHEMBL22741873 | 0.87 | DYRK1A (0.32) | — |
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-20200377513-A1 | NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE | IDEMITSU KOSAN CO.,LTD. (JP) | 2020-12-03 | — | — | US | disclosed |