⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8813475 | 0.93 | SIRT2 (0.32) | — | |
| SCHEMBL3248123 | 0.93 | SIRT2 (0.32) | — | |
| SCHEMBL3058860 | 0.93 | SIRT2 (0.32) | — | |
| SCHEMBL408490 | 0.93 | SIRT2 (0.32) | — | |
| Methane SCHEMBL4787385 | 0.91 | SIRT2 (0.31) | — | |
| SCHEMBL10409071 | 0.89 | — | — | |
| SCHEMBL6679396 | 0.87 | TSHR (0.31) | — | |
| SCHEMBL27934915 | 0.84 | — | — | |
| SCHEMBL2030791 | 0.84 | — | — | |
| SCHEMBL16486720 | 0.77 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105440609-B | High-toughness polylactic acid based material and preparation process therefor | 湖南工业大学 | 2017-04-19 | — | — | CN | claimed |
| CN-117964520-A | Method and device for preparing high-purity acetonitrile by purifying industrial acetonitrile | 中国石油化工股份有限公司 | 2024-05-03 | — | — | CN | disclosed |
| CN-105729967-B | A kind of compound barrier high-strength membrane of multilayer PLA | 湖南工业大学 | 2017-09-05 | — | — | CN | disclosed |
| CN-105440609-B | High-toughness polylactic acid based material and preparation process therefor | 湖南工业大学 | 2017-04-19 | — | — | CN | disclosed |