⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24949752 | 0.92 | HSD17B1 (0.31) | — | |
| SCHEMBL24946961 | 0.92 | MCL1 (0.33) | — | |
| SCHEMBL24947068 | 0.91 | AKT1 (0.32) | — | |
| SCHEMBL24947530 | 0.91 | CA12 (0.32) | — | |
| SCHEMBL24947073 | 0.89 | HSD17B1 (0.30) | — | |
| SCHEMBL27360631 | 0.89 | MCL1 (0.33) | — | |
| SCHEMBL24119132 | 0.89 | KDM4E (0.34) | — | |
| SCHEMBL20009737 | 0.89 | KDM4E (0.34) | — | |
| SCHEMBL24948728 | 0.89 | ALDH1A1 (0.35) | — | |
| SCHEMBL24948779 | 0.89 | PDE6D (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023002447-A1 | ORGANIC LIGHT-EMITTING DEVICE | 주식회사 엘지화학 | 2023-01-26 | — | — | WO | disclosed |
| WO-2023003403-A1 | ORGANIC LIGHT-EMITTING DEVICE | 주식회사 엘지화학 | 2023-01-26 | — | — | WO | disclosed |