⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22652184 | 0.92 | KDM4E (0.32) | — | |
| SCHEMBL22652359 | 0.92 | ELANE (0.32) | — | |
| SCHEMBL22652454 | 0.90 | ELANE (0.31) | — | |
| SCHEMBL22652310 | 0.88 | ADK (0.31) | — | |
| SCHEMBL22652172 | 0.87 | CYP1A1 (0.32) | — | |
| SCHEMBL23983776 | 0.87 | ELANE (0.31) | — | |
| SCHEMBL22652191 | 0.85 | CYP1A1 (0.30) | — | |
| SCHEMBL22652179 | 0.85 | ELANE (0.30) | — | |
| SCHEMBL23983779 | 0.85 | ELANE (0.30) | — | |
| SCHEMBL22652182 | 0.85 | ADK (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20200358004-A1 | COMPOUND FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME, AND AN ELECTROLUMINESCENT DEVICE THEREOF | DUK SAN NEOLUX CO., LTD. (KR) | 2020-11-12 | — | — | US | disclosed |