SCHEMBL3280952

SCHEMBL3280952

CCC(O)(C#CC(O)(CC)CC(C)C)CC(C)C

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
SCHEMBL20656780 0.86 TSHR (0.32)
SCHEMBL8980433 0.80
SCHEMBL48838 0.80
SCHEMBL395580 0.76 TSHR (0.31)
Oxirane SCHEMBL23090931 0.72
SCHEMBL4845594 0.72
SCHEMBL28515733 0.70
SCHEMBL9786112 0.70 AR (0.33)
SCHEMBL237721 0.70
SCHEMBL7715129 0.69 ALDH1A1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1626117-B1 Processing agents and methods for synthetic fibers TAKEMOTO OIL & FAT CO LTD (JP) 2010-06-09 EP disclosed
US-7416678-B2 Processing agents for synthetic fibers TAKEMOTO YUSHI KABUSHIKI KAISHA (JP) 2008-08-26 US disclosed
US-20080135797-A1 PROCESSING AGENTS AND METHODS FOR SYNTHETIC FIBERS TAKEMOTO YUSHI KABUSHIKI KAISHA (JP) 2008-06-12 US disclosed
US-7351350-B2 For preventing occurrence of fluffs, yard breaking and uneven dyeing; polyether, C17-60 ester or mineral oil lubricant; emulsifier; and 1,4-but-2-ynediols or diol ethers or their derivatives TAKEMOTO YUSHI KABUSHIKI KAISHA (JP) 2008-04-01 US disclosed
EP-1626117-A2 Processing agents and methods for synthetic fibers Takemoto Yushi Kabushiki Kaisha (JP) 2006-02-15 EP disclosed
US-20060026770-A1 For preventing occurrence of fluffs, yard breaking and uneven dyeing; polyether, C17-60 ester or mineral oil lubricant; emulsifier; and 1,4-but-2-ynediols, diol ethers or polyoxyalkylene derivatives TAKEMOTO YUSHI KABUSHIKI KAISHA (JP) 2006-02-09 US disclosed