⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20649856 | 0.85 | KDM4E (0.33) | — | |
| SCHEMBL20650309 | 0.85 | — | — | |
| SCHEMBL20649629 | 0.84 | ALDH1A1 (0.32) | — | |
| SCHEMBL21020330 | 0.84 | ABCG2 (0.38) | — | |
| SCHEMBL20650456 | 0.84 | SLC22A12 (0.33) | — | |
| SCHEMBL20650751 | 0.83 | — | — | |
| SCHEMBL20650788 | 0.83 | GPR3 (0.34) | — | |
| SCHEMBL20649877 | 0.82 | — | — | |
| SCHEMBL20650434 | 0.81 | — | — | |
| SCHEMBL20650837 | 0.80 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3428152-B1 | COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME | LG CHEMICAL LTD (KR) | 2021-11-03 | — | — | EP | disclosed |
| EP-3428152-A1 | COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME | LG Chem, Ltd. (KR) | 2019-01-16 | — | — | EP | disclosed |