⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1093080 | 1.00 | — | — | |
| SCHEMBL3471045 | 0.81 | — | — | |
| SCHEMBL61709 | 0.81 | — | — | |
| SCHEMBL3122384 | 0.79 | — | — | |
| SCHEMBL3122377 | 0.79 | — | — | |
| SCHEMBL6678271 | 0.77 | GPR84 (0.50) | — | |
| SCHEMBL5367892 | 0.77 | GPR84 (0.50) | — | |
| SCHEMBL19946361 | 0.77 | GPR84 (0.50) | — | |
| SCHEMBL6678274 | 0.77 | GPR84 (0.50) | — | |
| SCHEMBL5367890 | 0.77 | GPR84 (0.50) | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023066502-A1 | WATER REDUCED COMPACT CONDITIONER COMPOSITION | WELLA GERMANY GMBH (DE) | 2023-04-27 | — | — | WO | claimed |
| WO-2023067173-A1 | WATER REDUCED COMPACT CONDITIONER COMPOSITION | WELLA GERMANY GMBH (DE) | 2023-04-27 | — | — | WO | claimed |
| US-11998517-B2 | Antimicrobial composition | ROTTAPHARM SPA (IT) | 2024-06-04 | — | — | US | disclosed |
| WO-2023067173-A1 | WATER REDUCED COMPACT CONDITIONER COMPOSITION | WELLA GERMANY GMBH (DE) | 2023-04-27 | — | — | WO | disclosed |
| US-20210121424-A1 | ANTIMICROBIAL COMPOSITION | ROTTAPHARM SPA (IT) | 2021-04-29 | — | — | US | disclosed |
| US-10912747-B2 | Antimicrobial composition | ROTTAPHARM SPA | 2021-02-09 | — | — | US | disclosed |
| US-20190247341-A1 | ANTIMICROBIAL COMPOSITION | ROTTAPHARM SPA (IT) | 2019-08-15 | — | — | US | disclosed |
| EP-3292758-A1 | ANTIMICROBIAL COMPOSITION COMPRISING A CARBOXYLIC ACID AND TWO DIOLS | Rottapharm S.p.A. (IT) | 2018-03-14 | — | — | EP | disclosed |
| 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-7670418-B2 | Yellow ink composition, inkset for inkjet, inkjet recording method, and recorded matter | SEIKO EPSON CORPORATION (JP) | 2010-03-02 | — | — | 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 |
| US-20080233362-A1 | Yellow ink composition, inkset for inkjet, inkjet recording method, and recorded matter | SEIKO EPSON CORPORATION | 2008-09-25 | — | — | US | disclosed |
| WO-2008036049-A1 | PROCESS FOR PRODUCTION OF HIGH MOLECULAR WEIGHT POLYHYDROXY ACID | HYFLUX LTD (SG) | 2008-03-27 | — | — | WO | disclosed |
| US-20060241226-A1 | GAP-FILLING CYANOACRYLATE ADHESIVE | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) | 2006-10-26 | — | — | US | 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 |