⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL459432 | 1.00 | — | — | |
| SCHEMBL9934510 | 0.80 | — | — | |
| SCHEMBL9933548 | 0.72 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL15432269 | 0.69 | — | — | |
| SCHEMBL16903798 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL16894707 | 0.67 | — | — | |
| SCHEMBL9965938 | 0.67 | ALDH1A1 (0.43) | — | |
| SCHEMBL9965912 | 0.64 | GAA (0.41) | — | |
| SCHEMBL18377698 | 0.63 | KDM5A (0.32) | — | |
| SCHEMBL29220807 | 0.60 | SLC6A2 (0.30) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8933102-B2 | Pyrrolidine derived β3 adrenergic receptor agonists | MERCK SHARP & DOHME CORP. (US) | 2015-01-13 | — | — | US | disclosed |
| US-8933102-B2 | Pyrrolidine derived β3 adrenergic receptor agonists | MERCK SHARP & DOHME CORP. (US) | 2015-01-13 | — | — | US | disclosed |
| US-20130225599-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | Life Technologies Corporation (US) | 2013-08-29 | — | — | US | disclosed |
| US-20130225599-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | Life Technologies Corporation (US) | 2013-08-29 | — | — | US | disclosed |