⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1742084 | 0.79 | — | — | |
| SCHEMBL864330 | 0.76 | — | — | |
| SCHEMBL777005 | 0.69 | — | — | |
| SCHEMBL865193 | 0.67 | — | — | |
| SCHEMBL17870994 | 0.65 | — | — | |
| SCHEMBL1031731 | 0.65 | — | — | |
| SCHEMBL261404 | 0.65 | — | — | |
| SCHEMBL17871042 | 0.65 | — | — | |
| SCHEMBL3317384 | 0.65 | — | — | |
| SCHEMBL864645 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6372911-B1 | REACTING COMPOUND CONTAINING AT LEAST ONE CARBON-CARBON DOUBLE BOND WITH CARBAMATE IN AQUEOUS SOLVENT IN PRESENCE OF BASE, OSMIUM CATALYST, CO-OXIDANT, AND OPTIONALLY ASYMMETRIC LIGAND, TO FORM REACTION MIXTURE CONTAINING BETA-HYDROXY CARBAMATE | MERCK & CO., INC. | 2002-04-16 | — | — | US | disclosed |