⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23277327 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL23277279 | 0.72 | POLB (0.34) | — | |
| SCHEMBL17794528 | 0.70 | KDM4E (0.33) | — | |
| SCHEMBL25405270 | 0.67 | HTR1A (0.39) | — | |
| SCHEMBL23033192 | 0.64 | POLB (0.34) | — | |
| SCHEMBL6998019 | 0.64 | — | — | |
| SCHEMBL1712759 | 0.63 | POLB (0.33) | — | |
| SCHEMBL24034117 | 0.61 | POLB (0.35) | — | |
| SCHEMBL24034113 | 0.61 | POLB (0.38) | — | |
| SCHEMBL13471584 | 0.59 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114599644-B | Nicotinamide compound and herbicide composition containing the same | 韩国化学研究院 | 2024-08-02 | — | — | CN | disclosed |
| CN-114599644-A | Nicotinamide compound and herbicide composition containing the same | 韩国化学研究院 | 2022-06-07 | — | — | CN | disclosed |
| WO-2021080330-A1 | NICOTINAMIDE COMPOUND AND HERBICIDAL COMPOSITION COMPRISING COMPOUND | 한국화학연구원 | 2021-04-29 | — | — | WO | disclosed |
| EP-2470012-B1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME (US) | 2014-11-05 | — | — | EP | disclosed |
| EP-2470012-B1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME (US) | 2014-11-05 | — | — | EP | disclosed |
| US-8604038-B2 | Pyrrolidine derived beta 3 adrenergic receptor agonists | MERCK SHARP & DOHME CORP. (US) | 2013-12-10 | — | — | US | disclosed |
| US-20120225886-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME, CORP. (US) | 2012-09-06 | — | — | US | disclosed |
| US-20120225886-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME, CORP. (US) | 2012-09-06 | — | — | US | disclosed |
| US-20120225886-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME, CORP. (US) | 2012-09-06 | — | — | US | disclosed |
| EP-2470012-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | Merck Sharp & Dohme Corp. (US) | 2012-07-04 | — | — | EP | disclosed |
| WO-2011025774-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2011-03-03 | — | — | WO | disclosed |
| WO-2011025774-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2011-03-03 | — | — | WO | disclosed |