⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL426391 | 0.67 | — | — | |
| SCHEMBL1756137 | 0.67 | — | — | |
| SCHEMBL1077474 | 0.67 | — | — | |
| SCHEMBL11788457 | 0.67 | — | — | |
| SCHEMBL9441421 | 0.61 | — | — | |
| SCHEMBL2959209 | 0.61 | — | — | |
| SCHEMBL370340 | 0.61 | — | — | |
| SCHEMBL4865545 | 0.61 | — | — | |
| SCHEMBL361145 | 0.61 | — | — | |
| SCHEMBL2218122 | 0.61 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107056596-B | Preparation method of 2,6,11, 15-tetramethyl-2, 4,6,8,10,12, 14-hexadecaheptadien dialdehyde | 广州立达尔生物科技股份有限公司 | 2020-08-25 | — | — | CN | disclosed |
| US-4156683-A | CROWN COMPOUNDS USED AS CHELATING AGENTS | SCHERING CORPORATION (US) | 1979-05-29 | — | — | US | disclosed |
| US-3966766-A | CHELATING AGENTS | SCHERING CORPORATION (US) | 1976-06-29 | — | — | US | disclosed |