⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL607269 | 1.00 | — | — | |
| SCHEMBL21204930 | 0.79 | — | — | |
| SCHEMBL31281425 | 0.75 | — | — | |
| SCHEMBL2831467 | 0.75 | — | — | |
| SCHEMBL1335734 | 0.73 | — | — | |
| SCHEMBL1706136 | 0.73 | — | — | |
| SCHEMBL264785 | 0.73 | — | — | |
| SCHEMBL2216251 | 0.73 | — | — | |
| SCHEMBL3871642 | 0.73 | — | — | |
| SCHEMBL13776530 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4048224-A | Process for resolving alanine, 3-fluoro and 2-deutero-3-fluoro-DL-alanine | MERCK & CO., INC. (US) | 1977-09-13 | — | — | US | claimed |
| US-20050043556-A1 | 2,2'-Bis(triphenylphosphino)biphenyls complexed with a transition metal-diamine complex; highly active and selective hydrogenation catalysts for the hydrogenation of ketones and imines to alcohols and amines, respectively, used as drug intermediates often required in single isomer form; very low loading | MALAN CHRISTOPHE GUILLAUME (CH) | 2005-02-24 | — | — | US | disclosed |
| US-4048224-A | Process for resolving alanine, 3-fluoro and 2-deutero-3-fluoro-DL-alanine | MERCK & CO., INC. (US) | 1977-09-13 | — | — | US | disclosed |