⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18017438 | 1.00 | — | — | |
| SCHEMBL16619437 | 0.94 | — | — | |
| SCHEMBL16619436 | 0.94 | — | — | |
| SCHEMBL18017437 | 0.94 | — | — | |
| SCHEMBL16619433 | 0.94 | — | — | |
| SCHEMBL18019767 | 0.91 | CETP (0.30) | — | |
| SCHEMBL18017439 | 0.91 | CETP (0.30) | — | |
| SCHEMBL16629804 | 0.84 | MEN1 (0.36) | — | |
| SCHEMBL17986601 | 0.84 | USP30 (0.30) | — | |
| SCHEMBL18017452 | 0.83 | AGTR2 (0.33) | — |
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-9486448-B2 | Pyrrolidine derived beta 3 adrenergic receptor agonists | MERCK SHARP & DOHME CORP. (US) | 2016-11-08 | — | — | US | disclosed |
| US-9486448-B2 | Pyrrolidine derived beta 3 adrenergic receptor agonists | MERCK SHARP & DOHME CORP. (US) | 2016-11-08 | — | — | US | disclosed |
| WO-2015050798-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2015-04-09 | — | — | WO | disclosed |