SCHEMBL919640

SCHEMBL919640

CCC([O])c1cccs1

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
SCHEMBL921267 0.83 TAS1R3 (0.39)
SCHEMBL921560 0.80 HTT (0.42)
SCHEMBL920216 0.79 HTT (0.38)
SCHEMBL7459967 0.78
SCHEMBL6384847 0.78
SCHEMBL2880798 0.77 ALOX5 (0.39)
SCHEMBL94688 0.76
SCHEMBL12311962 0.76
SCHEMBL467496 0.75
SCHEMBL3465862 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023141852-A1 CDK2 INHIBITORS, PREPARATION METHOD THEREFOR AND USE THEREOF 益方生物科技(上海)股份有限公司 2023-08-03 WO disclosed
US-8163770-B2 Benzoxathiin derivative MSD. K. K. (JP) 2012-04-24 US disclosed
US-20110201649-A1 AGRICULTURAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-18 US disclosed
EP-2345328-A1 COMPOSITION FOR AGRICULTURAL USE Sumitomo Chemical Company, Limited (JP) 2011-07-20 EP disclosed
US-7960394-B2 3,8-dimethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-4(3H)-quinazolinone; 6-chloro-3-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]pyrido[3,4-d]-pyrimidin-4(3H)-one; 2-[4-(1-cyclopentyl-4-piperidinyloxy)phenyl]-3-methylpyrido[2,3-d]-pyrimidin-4(3H)-one; treats metabolic, nervous system, vascular disorders BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-06-14 US disclosed
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-13 US disclosed
EP-2248423-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP disclosed
US-20100168156-A1 Novel Benzoxathiine Derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-07-01 US disclosed
US-20100041694-A1 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENIC MICROBES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-02-18 US disclosed
US-20080275069-A1 Quinazoline Derivative MSD K.K. (JP) 2008-11-06 US disclosed
EP-0968222-B1 NOVEL ERYTHROMYCIN DERIVATIVES, METHOD OF PREPARATION AND APPLICATION AS MEDICINES AVENTIS PHARMA SA (FR) 2002-06-12 EP disclosed
EP-0968222-A1 NOVEL ERYTHROMYCIN DERIVATIVES, METHOD OF PREPARATION AND APPLICATION AS MEDICINES HOECHST MARION ROUSSEL (FR) 2000-01-05 EP disclosed
WO-1998038199-A1 NOVEL ERYTHROMYCIN DERIVATIVES, METHOD OF PREPARATION AND APPLICATION AS MEDICINES HOECHST MARION ROUSSEL (FR) 1998-09-03 WO disclosed
US-5770579-A Erythromycin compounds ROUSSEL UCLAF (FR) 1998-06-23 US disclosed
US-5561118-A ANTIBIOTICS ROUSSEL UCLAF (FR) 1996-10-01 US disclosed
EP-0487411-B1 Erythromycin derivatives, their preparation, intermediates obtained and their application as medicaments ROUSSEL UCLAF (FR) 1996-01-31 EP disclosed
US-5444051-A BACTERICIDES ROUSSEL UCLAF (FR) 1995-08-22 US disclosed
EP-0487411-A1 Erythromycin derivatives, their preparation, intermediates obtained and their application as medicaments ROUSSEL UCLAF (FR) 1992-05-27 EP disclosed
US-4349545-A Novel erythromycin a derivatives ROUSSEL UCLAF (FR) 1982-09-14 US disclosed
EP-0033255-A1 Oximes derived from erythromycin A, their preparation, their application in pharmaceuticals and pharmaceutical compositions containing them ROUSSEL-UCLAF (FR) 1981-08-05 EP disclosed