⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24744507 | 0.99 | TYMS (0.30) | — | |
| SCHEMBL24744504 | 0.99 | TYMS (0.30) | — | |
| SCHEMBL24744501 | 0.96 | TYMS (0.31) | — | |
| SCHEMBL24744474 | 0.94 | HDAC4 (0.32) | — | |
| SCHEMBL24744490 | 0.94 | — | — | |
| SCHEMBL24744488 | 0.93 | — | — | |
| SCHEMBL24744503 | 0.93 | — | — | |
| SCHEMBL24744440 | 0.92 | HDAC4 (0.32) | — | |
| SCHEMBL24744376 | 0.91 | TYMS (0.31) | — | |
| SCHEMBL24744624 | 0.91 | TYMS (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 |