⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL61388 | 0.93 | — | — | |
| SCHEMBL4806613 | 0.93 | MCL1 (0.48) | — | |
| Hydrochloric Acid SCHEMBL5108516 | 0.90 | — | — | |
| SCHEMBL27664732 | 0.90 | — | — | |
| SCHEMBL61612 | 0.88 | MCL1 (0.42) | — | |
| Boric Acid SCHEMBL78960 | 0.88 | MCL1 (0.42) | — | |
| SCHEMBL62418 | 0.85 | MCL1 (0.39) | — | |
| SCHEMBL62419 | 0.84 | MCL1 (0.42) | — | |
| Pyrrole SCHEMBL28148018 | 0.84 | MCL1 (0.42) | — | |
| Pyrrole SCHEMBL28148019 | 0.84 | MCL1 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8129523-B2 | Coupling process for generating reactive boron-containing derivatives of N-substituted pyrrole-2-carbonitriles to produce biaryls | WYETH LLC (US) | 2012-03-06 | — | — | US | disclosed |
| US-8129524-B2 | Cyanopyrrole containing cyclic carbamate and thiocarbamate biaryls and methods for preparing the same | WYETH LLC (US) | 2012-03-06 | — | — | US | disclosed |
| US-20120016118-A1 | CYANOPYRROLE CONTAINING CYCLIC CARBAMATE AND THIOCARBAMATE BIARYLS AND METHODS FOR PREPARING THE SAME | WYETH LLC (US) | 2012-01-19 | — | — | US | disclosed |
| US-8003784-B2 | Cyanopyrrole containing cyclic carbamate and thiocarbamate biaryls and methods for preparing the same | WYETH LLC (US) | 2011-08-23 | — | — | US | disclosed |
| US-20090306371-A1 | CYANOPYRROLE CONTAINING CYCLIC CARBAMATE AND THIOCARBAMATE BIARYLS AND METHODS FOR PREPARING THE SAME | WYETH (US) | 2009-12-10 | — | — | US | disclosed |
| US-7582755-B2 | Such as 2-amino-5-(5-cyano-1-methyl-1H-pyrrol-2-yl) benzoic acid methyl ester by reacting cyanopyrrole with coupling agent, reacting with anthranilic alcohol or anthranilic nitro alcohol to form cyanopyrrole substituted anthranilic alcohol or cyanopyrrole substituted anthranilic nitro alcohol, reducing | WYETH (US) | 2009-09-01 | — | — | US | disclosed |
| US-20090054663-A1 | COUPLING PROCESS FOR GENERATING REACTIVE BORON-CONTAINING DERIVATIVES OF N-SUBSTITUTED PYRROLE-2-CARBONITRILES TO PRODUCE BIARYLS | WYETH (US) | 2009-02-26 | — | — | US | disclosed |
| US-7446211-B2 | Reacting 1-methylpyrrole-2-carbonitrile with triisopropylborate in presence of lithium diisopropyl amine to produce (5-cyano-1-methyl-1H-pyrrol-2-yl) boronic acid | WYETH (US) | 2008-11-04 | — | — | US | disclosed |
| EP-1756095-B1 | CYANOPYRROLE CONTAINING CYCLIC CARBAMATE AND THIOCARBAMATE BIARYLS AND METHODS FOR PREPARING THE SAME | WYETH CORP (US) | 2008-05-21 | — | — | EP | disclosed |
| US-20050272702-A1 | Coupling process for generating reactive boron-containing derivatives of N-substituted pyrrole-2-carbonitriles to produce biaryls | WYETH (US) | 2005-12-08 | — | — | US | disclosed |
| WO-2005105817-A2 | COUPLING PROCESS FOR GENERATING REACTIVE BORON CONTAINING DERIVATIVES OF N-SUBSTITUTED PYRROLE-2 CARBONITRILES TO PRODUCE BIARYLS | WYETH (US) | 2005-11-10 | — | — | WO | disclosed |
| US-20050239779-A1 | Cyanopyrrole-containing cyclic carbamate and thiocarbamate biaryls and methods for preparing the same | WYETH (US) | 2005-10-27 | — | — | US | disclosed |