SCHEMBL8000717

SCHEMBL8000717

NCOC(=O)/C(CO)=C(/CO)C(=O)OCO

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
SCHEMBL8000722 0.86
SCHEMBL27773074 0.73 ALDH1A1 (0.36)
SCHEMBL28211302 0.73 GLRA1 (0.35)
SCHEMBL27904715 0.70 SOAT1 (0.32)
SCHEMBL28402438 0.69 ALDH1A1 (0.32)
SCHEMBL23234370 0.67 ALDH1A1 (0.34)
SCHEMBL28911987 0.67
SCHEMBL27846391 0.66
SCHEMBL4687746 0.66
SCHEMBL21837342 0.65

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-0693932-A4 METHODS AND COMPOSITIONS FOR INDUCING PHASE SEPARATION OF EPITHELIAL LIPID BILAYERS CELLEGY PHARMA INC (US) 2000-06-14 EP disclosed
US-6010691-A USING STEARYLAMINE AND,OR TRANSVACCENIC ACID THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-01-04 US disclosed
US-5885565-A APPLYING TO THE EPITHELIUM OF THE HOST, AN EFFECTIVE AMOUNT OF ONE OR MORE PENETRATION ENHANCING EPITHELIAL STEROLS AND THERAPEUTICAL OR PROPHYLACTIC AGENT CELLEGY PHARMACEUTICALS INC. (US) 1999-03-23 US disclosed
US-5723114-A TOPICALLY ADMINISTERING WITH EPITHELIAL PROTON PUMP INHIBITOR CELLEGY PHARMACEUTICALS INC. (US) 1998-03-03 US disclosed
EP-0693932-A1 METHODS AND COMPOSITIONS FOR INDUCING PHASE SEPARATION OF EPITHELIAL LIPID BILAYERS CELLEGY PHARMACEUTICALS, INC. (US) 1996-01-31 EP disclosed
WO-1994021271-A1 METHODS AND COMPOSITIONS FOR INDUCING PHASE SEPARATION OF EPITHELIAL LIPID BILAYERS CELLEGY PHARMACEUTICALS, INC. (US) 1994-09-29 WO disclosed