SCHEMBL6509409

SCHEMBL6509409

CCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.42
LPAR1 Q92633 1/20 0.42
LPAR3 Q9UBY5 1/20 0.42
TSHR P16473 1/20 0.38
THRB P10828 1/20 0.38
FAAH O00519 7/20 0.35
CES1 P23141 6/20 0.35
GGPS1 O95749 3/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
FDPS P14324 5/20 0.34

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
SCHEMBL26919555 1.00 CES2 (0.42) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL29191647 1.00 CES2 (0.42) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL15672868 1.00 CES2 (0.42) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL1844395 1.00 CES2 (0.42) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL21815728 1.00 CES2 (0.42) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL23560381 0.98 CES2 (0.41) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL8442314 0.98 CES2 (0.41) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL1707472 0.98 CES2 (0.41) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL10000307 0.98 CES2 (0.41) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL22277214 0.98 CES2 (0.41) CES2LPAR1LPAR3TSHRTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233942-A1 FLUORINATED POLYMERS COMPRISING PHOSPHONIC MOIETIES 3M Innovative Properties Company (US) 2017-10-25 EP disclosed
WO-2016099952-A1 FLUORINATED POLYMERS COMPRISING PHOSPHONIC MOIETIES 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-06-23 WO disclosed
EP-1509536-A1 FLUORINATED PHOSPHONIC ACIDS 3M Innovative Properties Company (US) 2005-03-02 EP disclosed
WO-2003102003-A1 FLUORINATED PHOSPHONIC ACIDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-12-11 WO disclosed