⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2906947 | 0.77 | — | — | |
| SCHEMBL2920884 | 0.76 | — | — | |
| SCHEMBL6618896 | 0.76 | — | — | |
| SCHEMBL4044697 | 0.76 | — | — | |
| SCHEMBL3316118 | 0.70 | — | — | |
| SCHEMBL1643939 | 0.70 | — | — | |
| SCHEMBL2407423 | 0.70 | — | — | |
| SCHEMBL21728686 | 0.70 | SLC7A5 (0.34) | — | |
| SCHEMBL29198632 | 0.69 | TGFBR1 (0.44) | — | |
| SCHEMBL6979783 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013062881-A1 | PROCESS FOR MAKING BETA 3 AGONISTS AND INTERMEDIATES | MERCK SHARP & DOHME CORP. (US) | 2013-05-02 | — | — | WO | disclosed |