⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5183021 | 0.85 | — | — | |
| SCHEMBL1999308 | 0.75 | — | — | |
| SCHEMBL1998390 | 0.67 | — | — | |
| SCHEMBL27401089 | 0.66 | — | — | |
| SCHEMBL9240247 | 0.64 | — | — | |
| SCHEMBL28145018 | 0.64 | — | — | |
| SCHEMBL10938737 | 0.64 | — | — | |
| SCHEMBL27675980 | 0.64 | — | — | |
| SCHEMBL21293420 | 0.63 | — | — | |
| SCHEMBL21293417 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9486448-B2 | Pyrrolidine derived beta 3 adrenergic receptor agonists | MERCK SHARP & DOHME CORP. (US) | 2016-11-08 | — | — | US | disclosed |