⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9933803 | 1.00 | — | — | |
| SCHEMBL9933655 | 0.68 | KCNH2 (0.44) | — | |
| SCHEMBL9933657 | 0.68 | KCNH2 (0.44) | — | |
| SCHEMBL30500991 | 0.66 | HDAC4 (0.47) | — | |
| SCHEMBL5650253 | 0.66 | RIPK1 (0.35) | — | |
| SCHEMBL9933856 | 0.66 | KDM5A (0.54) | — | |
| SCHEMBL18628305 | 0.66 | KDM5A (0.54) | — | |
| SCHEMBL9933860 | 0.66 | KDM5A (0.54) | — | |
| SCHEMBL23149396 | 0.65 | MAP3K12 (0.34) | — | |
| SCHEMBL18423479 | 0.65 | MAP3K12 (0.34) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |