⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29862373 | 0.78 | DGAT1 (0.33) | — | |
| SCHEMBL28496046 | 0.71 | DGAT1 (0.38) | — | |
| SCHEMBL30478862 | 0.71 | — | — | |
| SCHEMBL28912548 | 0.70 | DGAT1 (0.34) | — | |
| SCHEMBL16611601 | 0.70 | DGAT1 (0.40) | — | |
| SCHEMBL28624418 | 0.70 | DGAT1 (0.37) | — | |
| SCHEMBL10200583 | 0.70 | DGAT1 (0.34) | — | |
| SCHEMBL30877301 | 0.70 | DGAT1 (0.34) | — | |
| SCHEMBL3262382 | 0.69 | DGAT1 (0.34) | — | |
| SCHEMBL28627973 | 0.68 | DGAT1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118525018-A | Bialkyne compound and application thereof | 上海艾力斯医药科技股份有限公司 | 2024-08-20 | — | — | CN | disclosed |
| WO-2023116779-A1 | DIALKYNE COMPOUND AND USE THEREOF | 上海艾力斯医药科技股份有限公司 | 2023-06-29 | — | — | WO | disclosed |