⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4361321 | 0.74 | — | — | |
| SCHEMBL10347851 | 0.72 | — | — | |
| SCHEMBL5362067 | 0.71 | — | — | |
| SCHEMBL9294899 | 0.67 | — | — | |
| SCHEMBL13980791 | 0.62 | — | — | |
| SCHEMBL20610588 | 0.60 | — | — | |
| SCHEMBL8446741 | 0.60 | OPRM1 (0.32) | — | |
| SCHEMBL284307 | 0.59 | — | — | |
| SCHEMBL21916712 | 0.57 | — | — | |
| SCHEMBL10903036 | 0.57 | — | — |
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-2276756-B9 | HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME (US) | 2012-08-15 | — | — | EP | disclosed |