SCHEMBL732804

SCHEMBL732804

C=CCCC(C)(C)N

nearest known ligand 0.00

⚠ 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.

Compoundsimilaritytop predictedshared targets
Bromide SCHEMBL4421197 0.97
Hydrochloric Acid SCHEMBL2122714 0.97
SCHEMBL4533538 0.83
SCHEMBL9211224 0.79 TSHR (0.48)
SCHEMBL9211258 0.79 TSHR (0.48)
SCHEMBL4306492 0.78
SCHEMBL23192221 0.76
Hydrochloric Acid SCHEMBL11561461 0.76
SCHEMBL1903966 0.76 TSHR (0.33)
SCHEMBL73805 0.75

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108623898-A The spacer bar of antimildew and antibacterial polypropylene material and preparation method with the application material 石家庄欧强节能建材科技有限公司 2018-10-09 CN claimed
EP-2236502-B1 SULFENAMIDE, VULCANIZATION ACCELERATOR CONTAINING THE SULFENAMIDE FOR RUBBER, AND PROCESS FOR PRODUCING THE VULCANIZATION ACCELERATOR OUCHI SHINKO CHEMICAL IND CO LTD (JP) 2014-03-05 EP claimed
US-20250340568-A1 SOLID FORMS OF A MACROCYCLIC COMPOUNDS AS CFTR MODULATORS AND THEIR PREPARATION VERTEX PHARMA (US) 2025-11-06 US disclosed
US-12324802-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-06-10 US disclosed
CN-119731183-A Solid forms of macrocyclic compounds as CFTR modulators and their preparation 弗特克斯药品有限公司 2025-03-28 CN disclosed
EP-4525858-A1 METHODS OF TREATMENT FOR CYSTIC FIBROSIS Vertex Pharmaceuticals Incorporated (US) 2025-03-26 EP disclosed
EP-4525986-A1 SOLID FORMS OF A MACROCYCLIC COMPOUNDS AS CFTR MODULATORS AND THEIR PREPARATION Vertex Pharmaceuticals Incorporated (US) 2025-03-26 EP disclosed
WO-2023224924-A1 SOLID FORMS OF A MACROCYCLIC COMPOUNDS AS CFTR MODULATORS AND THEIR PREPARATION VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-11-23 WO disclosed
WO-2023224924-A1 SOLID FORMS OF A MACROCYCLIC COMPOUNDS AS CFTR MODULATORS AND THEIR PREPARATION VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-11-23 WO disclosed
WO-2023224931-A1 METHODS OF TREATMENT FOR CYSTIC FIBROSIS VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-11-23 WO disclosed
WO-2023224931-A1 METHODS OF TREATMENT FOR CYSTIC FIBROSIS VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-11-23 WO disclosed
US-7879797-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2011-02-01 US disclosed
US-20100317623-A1 HCV NS3 Protease Inhibitors MERCK SHARP & DOHME LLC 2010-12-16 US disclosed
WO-2010079467-A2 DELIVERY PARTICLES THE PROCTER & GAMBLE COMPANY (US) 2010-07-15 WO disclosed
EP-2079479-A2 HCV NS3 PROTEASE INHIBITORS Merck & Co., Inc. (US) 2009-07-22 EP disclosed
WO-2008051475-A2 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2008-05-02 WO disclosed
EP-1913016-A1 MACROCYCLIC PEPTIDES AS HCV NS3 PROTEASE INHIBITORS Merck & Co., Inc. (US) 2008-04-23 EP disclosed
WO-2007016441-A1 MACROCYCLIC PEPTIDES AS HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2007-02-08 WO disclosed
EP-1223161-A2 Method to stabilise and/or lower the color number of alkenyl compounds BASF AKTIENGESELLSCHAFT (DE) 2002-07-17 EP disclosed
EP-0438385-A1 Procedure and additive for preventing clogging of a handling process of dry cellulose-containing material OY ALKO AB (FI) 1991-07-24 EP disclosed