⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24745006 | 0.94 | PDK2 (0.31) | — | |
| SCHEMBL24745017 | 0.91 | — | — | |
| SCHEMBL24744215 | 0.90 | PDK2 (0.31) | — | |
| SCHEMBL24744529 | 0.90 | PDK2 (0.34) | — | |
| SCHEMBL24745023 | 0.90 | TYMS (0.31) | — | |
| SCHEMBL24745010 | 0.90 | CA12 (0.30) | — | |
| SCHEMBL24744137 | 0.88 | PDK2 (0.32) | — | |
| SCHEMBL24744428 | 0.88 | MCL1 (0.32) | — | |
| SCHEMBL24745004 | 0.87 | — | — | |
| SCHEMBL24745016 | 0.87 | SLC6A9 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022260240-A1 | HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME | 엘티소재주식회사 | 2022-12-15 | — | — | WO | disclosed |