⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17972924 | 0.83 | — | — | |
| SCHEMBL910399 | 0.82 | — | — | |
| SCHEMBL14548254 | 0.72 | — | — | |
| SCHEMBL767000 | 0.72 | — | — | |
| SCHEMBL16264286 | 0.72 | — | — | |
| SCHEMBL22130936 | 0.72 | — | — | |
| SCHEMBL17322480 | 0.71 | — | — | |
| SCHEMBL22214004 | 0.71 | — | — | |
| SCHEMBL22640264 | 0.71 | — | — | |
| SCHEMBL21237633 | 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 |
|---|---|---|---|---|---|---|---|
| EP-2632457-B1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME (US) | 2017-03-22 | — | — | EP | disclosed |