⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1669878 | 0.75 | — | — | |
| SCHEMBL6478432 | 0.72 | — | — | |
| SCHEMBL380421 | 0.72 | — | — | |
| SCHEMBL16401948 | 0.72 | CYP2C19 (0.44) | — | |
| SCHEMBL1534107 | 0.72 | — | — | |
| SCHEMBL1633399 | 0.70 | — | — | |
| SCHEMBL5040518 | 0.69 | — | — | |
| SCHEMBL6533057 | 0.69 | — | — | |
| SCHEMBL1771381 | 0.69 | — | — | |
| SCHEMBL310693 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0161188-B1 | COVALENTLY-MODIFIED BACTERIAL POLYSACCHARIDES, STABLE COVALENT CONJUGATES OF SUCH POLYSACCHARIDES AND IMMUNOGENIC PROTEINS WITH BIGENERIC SPACERS, AND METHODS OF PREPARING SUCH POLYSACCHARIDES AND CONJUGATES AND OF CONFIRMING COVALENCY | MERCK & CO. INC. (US) | 1991-04-03 | — | — | EP | disclosed |
| US-4882317-A | SOLUBILIZATION | MERCK & CO., INC. (US) | 1989-11-21 | — | — | US | disclosed |
| US-4695624-A | Covalently-modified polyanionic bacterial polysaccharides, stable covalent conjugates of such polysaccharides and immunogenic proteins with bigeneric spacers, and methods of preparing such polysaccharides and conjugates and of confirming covalency | MERCK & CO., INC. (US) | 1987-09-22 | — | — | US | disclosed |
| EP-0161188-A2 | Covalently-modified bacterial polysaccharides, stable covalent conjugates of such polysaccharides and immunogenic proteins with bigeneric spacers, and methods of preparing such polysaccharides and conjugates and of confirming covalency | MERCK & CO. INC. (US) | 1985-11-13 | — | — | EP | disclosed |