⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20650372 | 0.85 | — | — | |
| SCHEMBL20172893 | 0.85 | — | — | |
| SCHEMBL20650745 | 0.84 | — | — | |
| SCHEMBL20650833 | 0.81 | KDM4E (0.34) | — | |
| SCHEMBL20650746 | 0.80 | ALDH1A1 (0.33) | — | |
| SCHEMBL20650751 | 0.79 | — | — | |
| SCHEMBL20650744 | 0.78 | SIGMAR1 (0.32) | — | |
| SCHEMBL20650729 | 0.77 | NPC1 (0.31) | — | |
| SCHEMBL20650748 | 0.77 | KIF11 (0.32) | — | |
| SCHEMBL20172939 | 0.77 | ALDH1A1 (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 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 |