⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18164869 | 0.86 | KEAP1 (0.32) | — | |
| SCHEMBL18164814 | 0.84 | ALDH1A1 (0.33) | — | |
| SCHEMBL18164824 | 0.81 | PTPN7 (0.33) | — | |
| SCHEMBL18164789 | 0.80 | CA1 (0.36) | — | |
| SCHEMBL18164870 | 0.79 | PTPN7 (0.32) | — | |
| SCHEMBL20109637 | 0.78 | ALDH1A1 (0.36) | — | |
| SCHEMBL18164800 | 0.77 | F9 (0.32) | — | |
| SCHEMBL18164855 | 0.77 | CA12 (0.34) | — | |
| SCHEMBL20114479 | 0.77 | ALDH1A1 (0.35) | — | |
| SCHEMBL18164822 | 0.76 | F9 (0.33) | — |
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-2016167491-A1 | COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC APPARATUS | 덕산네오룩스 주식회사 | 2016-10-20 | — | — | WO | disclosed |