⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL482459 | 0.81 | — | — | |
| SCHEMBL19042880 | 0.79 | HSD11B1 (0.37) | — | |
| SCHEMBL22333634 | 0.79 | — | — | |
| SCHEMBL3480456 | 0.67 | — | — | |
| SCHEMBL29276984 | 0.64 | — | — | |
| SCHEMBL22928577 | 0.64 | — | — | |
| SCHEMBL2470442 | 0.62 | HSD11B1 (0.41) | — | |
| SCHEMBL21437049 | 0.61 | — | — | |
| SCHEMBL29249191 | 0.60 | — | — | |
| SCHEMBL7707622 | 0.60 | — | — |
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-2020067593-A1 | HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME | 희성소재(주) | 2020-04-02 | — | — | WO | disclosed |