SCHEMBL8659014

SCHEMBL8659014

CCCCCCOC(C)OC(F)(F)C(O)(F)F

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CES1 P23141 5/20 0.42
CES2 O00748 1/20 0.39
DNM1 Q05193 1/20 0.38
LPAR1 Q92633 4/20 0.33
LPAR3 Q9UBY5 4/20 0.33
LPAR2 Q9HBW0 1/20 0.33
PLA2G2C Q5R387 1/20 0.33
SPHK1 Q9NYA1 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL7059563 0.93 CES1 (0.33) CES1CES2
SCHEMBL9017296 0.77 CES2 (0.44) CES1CES2PLA2G2C
SCHEMBL7559623 0.76 CES2 (0.42) CES1CES2PLA2G2C
SCHEMBL16841236 0.74 DNM1 (0.54) DNM1LPAR1LPAR3LPAR2SPHK1
SCHEMBL6686359 0.74 DNM1 (0.54) DNM1LPAR1LPAR3LPAR2SPHK1
SCHEMBL873400 0.74 DNM1 (0.54) DNM1LPAR1LPAR3LPAR2SPHK1
SCHEMBL25509452 0.74 DNM1 (0.54) DNM1LPAR1LPAR3LPAR2SPHK1
SCHEMBL7756869 0.74 CES1 (0.38) CES1CES2DNM1PLA2G2C
SCHEMBL11124239 0.74 CES1 (0.50) CES1CES2LPAR1LPAR3LPAR2
SCHEMBL7754444 0.73 CES1 (0.31) CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0646575-B1 Process for preparing fluorocarbon fluoroalkanesulfonates MINNESOTA MINING & MFG (US) 1998-11-04 EP disclosed
US-5550273-A Process for preparing fluorocarbon fluoroalkanesulfonates MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-08-27 US disclosed
EP-0646575-A1 Process for preparing fluorocarbon fluoroalkanesulfonates MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-04-05 EP disclosed