SCHEMBL514599

SCHEMBL514599

CCCN(S)CCC

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
SCHEMBL10156863 0.87
SCHEMBL22166983 0.85
SCHEMBL513958 0.77 TSHR (0.40)
SCHEMBL514807 0.74 DNM1 (0.50)
SCHEMBL28172385 0.74 TSHR (0.38)
SCHEMBL18698846 0.72 DNM1 (0.48)
SCHEMBL514899 0.72
SCHEMBL27498612 0.67
SCHEMBL910940 0.67
SCHEMBL27375627 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050113450-A1 Antibacterial agents PHARMACIA & UPJOHN COMPANY 2005-05-26 US claimed
US-20040142981-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-07-22 US claimed
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US claimed
WO-2004018461-A2 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO claimed
EP-0049411-A2 Method and catalyst for making bisphenol GENERAL ELECTRIC COMPANY (US) 1982-04-14 EP claimed
CN-112424600-B Optimization of sigma-1 agonist therapy and screening methods for subjects 阿纳韦克斯生命科学公司 2023-10-10 CN disclosed
EP-4219502-A1 IMIDAZO[1,5-A]PYRAZINE DERIVATIVES AS PI3KDELTA INHIBITORS BeiGene, Ltd. (KY) 2023-08-02 EP disclosed
EP-3835322-A2 ANTI-B7-H3 ANTIBODIES AND ANTIBODY DRUG CONJUGATES AbbVie Inc. (US) 2021-06-16 EP disclosed
EP-3154997-B9 AURISTATIN DERIVATIVES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2021-04-14 EP disclosed
EP-3569252-A2 ANTISENSE ANTIBACTERIAL COMPOUNDS AND METHODS Oregon State University (US) 2019-11-20 EP disclosed
EP-3095788-B1 ORGANOAMINOSILANE PRECURSORS AND METHODS FOR DEPOSITING FILMS COMPRISING SAME VERSUM MAT US LLC (US) 2019-07-03 EP disclosed
US-10294250-B2 Organoaminosilanes and methods for making same VERSUM MATERIALS US, LLC (US) 2019-05-21 US disclosed
WO-2014184070-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
WO-2014184071-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
EP-2420493-A1 HALOALKYLSULFONANILIDE DERIVATIVE Nissan Chemical Industries, Ltd. (JP) 2012-02-22 EP disclosed
US-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-02-02 US disclosed
EP-2336104-A1 ORTHO-SUBSTITUTED HALOALKYLSULFONANILIDE DERIVATIVE AND HERBICIDE Nissan Chemical Industries, Ltd. (JP) 2011-06-22 EP disclosed
EP-1479397-B1 2,4,6-TRIAMINO-1,3,5-TRIAZINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2011-06-08 EP disclosed
EP-0546179-B1 4-O-(AMINOGLYCOSYL)- OR 4,6-DI-O-(AMINOGLYCOSYL)-2,5-DIDEOXY-5,5-DIFLUOROSTREPTAMINE DERIVATIVE AND PRODUCTION THEREOF ZAIDAN HOJIN BISEIBUTSU (JP) 1997-02-12 EP disclosed
US-4068071-A DISULFIDING, SOLVOLYSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1978-01-10 US disclosed