⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL12485568 | 0.57 | DRD2 (0.40) | — | |
| SCHEMBL5642192 | 0.57 | — | — | |
| Bromide SCHEMBL1503957 | 0.57 | DRD2 (0.35) | — | |
| SCHEMBL21925853 | 0.56 | — | — | |
| SCHEMBL550241 | 0.55 | DRD2 (0.46) | — | |
| SCHEMBL2824794 | 0.54 | DRD2 (0.30) | — | |
| SCHEMBL8352318 | 0.53 | — | — | |
| SCHEMBL10587488 | 0.50 | — | — | |
| SCHEMBL7824418 | 0.50 | — | — | |
| Bromide SCHEMBL6150945 | 0.49 | DRD2 (0.48) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8748433-B2 | β3 adrenergic receptor agonists | MERCK SHARP & DOHME CORP. (US) | 2014-06-10 | — | — | US | disclosed |
| US-8748433-B2 | β3 adrenergic receptor agonists | MERCK SHARP & DOHME CORP. (US) | 2014-06-10 | — | — | US | disclosed |
| US-20130053403-A1 | NOVEL BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME LLC | 2013-02-28 | — | — | US | disclosed |
| US-20130053403-A1 | NOVEL BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME LLC | 2013-02-28 | — | — | US | disclosed |