⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12835910 | 0.79 | — | — | |
| SCHEMBL9965940 | 0.76 | CYP19A1 (0.33) | — | |
| SCHEMBL9965927 | 0.74 | — | — | |
| SCHEMBL9934542 | 0.73 | DGAT2 (0.31) | — | |
| SCHEMBL9934544 | 0.73 | DGAT2 (0.31) | — | |
| SCHEMBL9965953 | 0.72 | CYP19A1 (0.33) | — | |
| SCHEMBL18469993 | 0.72 | SLC6A2 (0.31) | — | |
| SCHEMBL9965912 | 0.69 | GAA (0.41) | — | |
| SCHEMBL20224030 | 0.68 | KDM4E (0.33) | — | |
| SCHEMBL4244851 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2470021-B1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME (US) | 2014-10-22 | — | — | EP | disclosed |
| US-8354403-B2 | Pyrrolidine derived beta 3 adrenergic receptor agonists | MERCK SHARP & DOHME CORP. (US) | 2013-01-15 | — | — | US | disclosed |
| US-20120157432-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME, CORP. (US) | 2012-06-21 | — | — | US | disclosed |