⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23281099 | 0.92 | ELANE (0.30) | — | |
| SCHEMBL23281208 | 0.90 | — | — | |
| SCHEMBL23281178 | 0.90 | GPR3 (0.31) | — | |
| SCHEMBL23281158 | 0.87 | PTPN7 (0.32) | — | |
| SCHEMBL23281176 | 0.85 | — | — | |
| SCHEMBL23281211 | 0.82 | CYP1A1 (0.30) | — | |
| SCHEMBL23281106 | 0.81 | — | — | |
| SCHEMBL23975168 | 0.80 | — | — | |
| SCHEMBL24277647 | 0.78 | KDM4E (0.33) | — | |
| SCHEMBL23281153 | 0.78 | GPR3 (0.35) | — |
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-2021080334-A1 | COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF | 덕산네오룩스 주식회사 | 2021-04-29 | — | — | WO | disclosed |