SCHEMBL2169435

SCHEMBL2169435

CCC(O)OCC(C)=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
SCHEMBL7102165 0.81 CES2 (0.38)
SCHEMBL28444467 0.80
SCHEMBL16190098 0.75
SCHEMBL8384731 0.75
SCHEMBL2795761 0.75
Acetic Acid SCHEMBL7941016 0.75 TSHR (0.43)
SCHEMBL2168980 0.75 GAA (0.46)
SCHEMBL2346978 0.74
SCHEMBL10907242 0.72 ALDH1A1 (0.36)
SCHEMBL48977 0.70

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
CN-107473947-B Method for separating acetone-isopropanol-water by three-tower heat integration extraction rectification 青岛三瑞节能环保技术有限公司 2020-09-01 CN disclosed
US-8324177-B2 Triterpene compositions and methods for use thereof RESEARCH DEVELOPMENT FOUNDATION (US) 2012-12-04 US disclosed
CN-102274272-A Triterpene compositions and methods for use thereof 2011-12-14 CN disclosed
US-20110294752-A1 TRITERPENE COMPOSITIONS AND METHODS FOR USE THEREOF RESEARCH DEVELOPMENT FOUNDATION (US) 2011-12-01 US disclosed
EP-1079824-B1 TRITERPENE COMPOSITIONS AND METHODS FOR USE THEREOF RES DEV FOUNDATION (US) 2011-08-31 EP disclosed
US-7985435-B2 Triterpene compositions and methods for use thereof RESEARCH DEVELOPMENT FOUNDATION (US) 2011-07-26 US disclosed
US-20100189824-A1 TRITERPENE COMPOSITIONS AND METHODS FOR USE THEREOF ARNTZEN CHARLES J 2010-07-29 US disclosed
US-7670632-B2 Triterpene compositions and methods for use thereof RESEARCH DEVELOPMENT FOUNDATION (US) 2010-03-02 US disclosed
EP-1355642-A4 INHIBITION OF NF-(k)B BY TRITERPENE COMPOSITIONS RES DEV FOUNDATION (US) 2007-04-04 EP disclosed
US-7105186-B2 Triterpene compositions and methods for use thereof RESEARCH DEVELOPMENT FOUNDATION (US) 2006-09-12 US disclosed
US-6962720-B2 Triterpene compositions and methods for use thereof RESEARCH DEVELOPMENT FOUNDATION (US) 2005-11-08 US disclosed
US-6746696-B2 ANTITUMOR AGENTS; APOPTOSIS RESEARCH DEVELOPMENT FOUNDATION 2004-06-08 US disclosed
US-6689398-B2 CONTROLLING APOPTOSIS; ANTITUMOR AGENT; GLYCYRRHETINIC ACID MIXTURES RESEARCH DEVELOPMENT FOUNDATION 2004-02-10 US disclosed
US-20030203049-A1 Triterpene compositions and methods for use thereof RESEARCH DEVELOPMENT FOUNDATION 2003-10-30 US disclosed
EP-1355642-A2 INHIBITION OF NF-(k)B BY TRITERPENE COMPOSITIONS RESEARCH DEVELOPMENT FOUNDATION (US) 2003-10-29 EP disclosed
US-20030054052-A1 Triterpene compositions and methods for use thereof RESEARCH DEVELOPMENT FOUNDATION 2003-03-20 US disclosed
US-20030039705-A1 Triterpene compositions and methods for use thereof RESEARCH DEVELOPMENT FOUNDATION 2003-02-27 US disclosed
US-20030031738-A1 Triterpene compositions and methods for use thereof RESEARCH DEVELOPMENT FOUNDATION (US) 2003-02-13 US disclosed
US-6444233-B1 ANTITUMOR AGENTS RESEARCH DEVELOPMENT FOUNDATION 2002-09-03 US disclosed
WO-2002055016-A2 INHIBITION OF NF-λB BY TRITERPENE COMPOSITIONS RES DEV FOUNDATION (US) 2002-07-18 WO disclosed