⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4149724 | 0.96 | — | — | |
| SCHEMBL4667610 | 0.75 | ALDH1A1 (0.30) | — | |
| SCHEMBL5586377 | 0.75 | — | — | |
| SCHEMBL5586375 | 0.75 | — | — | |
| SCHEMBL5586376 | 0.75 | — | — | |
| SCHEMBL9925984 | 0.75 | — | — | |
| SCHEMBL12087698 | 0.75 | — | — | |
| SCHEMBL7711659 | 0.75 | — | — | |
| SCHEMBL16057561 | 0.72 | — | — | |
| SCHEMBL2555339 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105884751-A | Alpha-tocopherol spin labeling derivatives and preparation method thereof | 中国科学院兰州化学物理研究所 | 2016-08-24 | — | — | CN | disclosed |