SCHEMBL17293290

SCHEMBL17293290

CCC(OCOC)(C(=O)O)C(CC)(OCOC)C(=O)O

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
SCHEMBL1671590 0.78 ALDH1A1 (0.39)
SCHEMBL29815587 0.77 LMNA (0.33)
SCHEMBL27746480 0.71
SCHEMBL20090072 0.70
SCHEMBL11736148 0.68
SCHEMBL27746296 0.68 TSHR (0.32)
SCHEMBL18562448 0.68 CES2 (0.31)
SCHEMBL6058614 0.67 TSHR (0.36)
SCHEMBL14670245 0.67
SCHEMBL29577396 0.65 ALDH1A1 (0.32)

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10336719-B2 1-(cyclopent-2-en-1-yl)-3-(2-hydroxy-3-(arylsulfonyl)phenyl)urea derivatives as CXCR2 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-07-02 US disclosed
US-20190010135-A1 Novel Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-01-10 US disclosed
US-10106515-B2 1-(cyclopent-2-en-1-yl)-3-(2-hydroxy-3-(arylsulfonyl)phenyl)urea derivatives as CXCR2 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-10-23 US disclosed
EP-3148963-B1 1-(CYCLOPENT-2-EN-1-YL)-3-(2-HYDROXY-3-(ARYLSULFONYL)PHENYL)UREA DERIVATIVES AS CXCR2 INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2018-06-13 EP disclosed
US-20170190681-A1 1-(CYCLOPENT-2-EN-1-YL)-3-(2-HYDROXY-3-(ARYLSULFONYL)PHENYL)UREA DERIVATIVES AS CXCR2 INHIBITORS Glaxosmithline Intellectual Property Development Limited (GB) 2017-07-06 US disclosed
EP-3148963-A1 1 -(CYCLOPENT-2-EN-1 -YL)-3-(2-HYDROXY-3-(ARYLSULFONYL)PHENYL)UREA DERIVATIVES AS CXCR2 INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2017-04-05 EP disclosed
WO-2015181186-A1 1 -(CYCLOPENT-2-EN-1 -YL)-3-(2-HYDROXY-3-(ARYLSULFONYL)PHENYL)UREA DERIVATIVES AS CXCR2 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-12-03 WO disclosed