⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24778837 | 0.94 | — | — | |
| SCHEMBL24777903 | 0.83 | TRPV1 (0.31) | — | |
| SCHEMBL24778599 | 0.83 | KDM4E (0.31) | — | |
| SCHEMBL24777902 | 0.79 | PON1 (0.30) | — | |
| SCHEMBL24779269 | 0.78 | — | — | |
| SCHEMBL24779289 | 0.76 | — | — | |
| SCHEMBL24779261 | 0.73 | — | — | |
| SCHEMBL24779265 | 0.72 | TRPV1 (0.33) | — | |
| SCHEMBL22794901 | 0.69 | PON1 (0.33) | — | |
| SCHEMBL24636685 | 0.69 | PTGER3 (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-2022255634-A1 | NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME | 주식회사 엘지화학 | 2022-12-08 | — | — | WO | disclosed |