SCHEMBL401044

SCHEMBL401044

C[C@@H](O)[C@H](NC(=O)c1ccc(C#Cc2ccc(CN3CCOCC3)cc2)cc1)C(=O)NO

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
SCHEMBL4530797 1.00
SCHEMBL399963 1.00
SCHEMBL399964 1.00
SCHEMBL13654205 1.00
SCHEMBL404694 1.00
SCHEMBL13245423 0.96
SCHEMBL440343 0.96
SCHEMBL440342 0.96
SCHEMBL13654225 0.96
SCHEMBL1105536 0.96

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120154619-A Application of CHIR-090 in preparation of pharmaceutical composition or vaccine for treating and/or preventing vibrio parahaemolyticus infection 扬州大学 2025-06-17 CN claimed
US-20240175068-A1 PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND/OR TREATMENT OF INFECTIONS AND ANTIBACTERIAL-INDUCED DYSFUNCTIONS EUROPEAN MOLECULAR BIOLOGY LABORATORY (EMBL) (DE) 2024-05-30 US claimed
US-20120283175-A1 ANTIBACTERIAL COMPOSITIONS ACHAOGEN, INC. (US) 2012-11-08 US claimed
WO-2011005355-A1 COMBINATIONS COMPRISING A LPXC INHIBITOR AND AN ANTIBIOTIC FOR USE IN THE TREATMENT OF INFECTIONS CAUSED BY GRAM-NEGATIVE BACTERIA ACHAOGEN, INC. (US) 2011-01-13 WO claimed
US-20250346633-A1 MACOLACINS AND METHODS OF USE THEREOF UNIV ROCKEFELLER (US) 2025-11-13 US disclosed
CN-120154619-A Application of CHIR-090 in preparation of pharmaceutical composition or vaccine for treating and/or preventing vibrio parahaemolyticus infection 扬州大学 2025-06-17 CN disclosed
CN-120154619-A Application of CHIR-090 in preparation of pharmaceutical composition or vaccine for treating and/or preventing vibrio parahaemolyticus infection 扬州大学 2025-06-17 CN disclosed
CN-120154619-A Application of CHIR-090 in preparation of pharmaceutical composition or vaccine for treating and/or preventing vibrio parahaemolyticus infection 扬州大学 2025-06-17 CN disclosed
US-20250171400-A1 AZA-HETEROCYCLYL CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS X-BIOTIX THERAPEUTICS, INC. 2025-05-29 US disclosed
US-20250099433-A1 COMPOSITION AND METHOD FOR TREATMENT OF GRAM NEGATIVE BACTERIAL INFECTION THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2025-03-27 US disclosed
US-12227475-B2 Aza-heterocyclyl carboxamide and related compounds and their use in treating medical conditions X-BIOTIX THERAPEUTICS, INC. 2025-02-18 US disclosed
CN-119350185-A Biphenyl hydroxamic derivative and preparation method and application thereof 聊城大学 2025-01-24 CN disclosed
US-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 US disclosed
US-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 US disclosed
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 US disclosed
US-20060154988-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2006-07-13 US disclosed
US-20040229955-A1 intracellular inhibition of bacterial polypeptide deformylase in gramnegative bacteria, UNIVERSITY OF WASHINGTON 2004-11-18 US disclosed