⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9933948 | 1.00 | — | — | |
| SCHEMBL9965920 | 0.81 | NR1H2 (0.41) | — | |
| SCHEMBL16182226 | 0.81 | NR1H2 (0.41) | — | |
| SCHEMBL12835644 | 0.81 | NR1H2 (0.41) | — | |
| SCHEMBL316549 | 0.76 | KDM4E (0.37) | — | |
| SCHEMBL9933969 | 0.74 | GAA (0.36) | — | |
| SCHEMBL9933968 | 0.74 | GAA (0.36) | — | |
| SCHEMBL4782482 | 0.68 | CYP2C19 (0.37) | — | |
| SCHEMBL25284096 | 0.68 | — | — | |
| SCHEMBL9932627 | 0.68 | ALDH1A1 (0.31) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8354403-B2 | Pyrrolidine derived beta 3 adrenergic receptor agonists | MERCK SHARP & DOHME CORP. (US) | 2013-01-15 | — | — | US | disclosed |
| US-20120157432-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME, CORP. (US) | 2012-06-21 | — | — | US | disclosed |