SCHEMBL10866366

SCHEMBL10866366

CCCCC[CH]OC(F)(F)C(F)F

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.33
CES1 P23141 2/20 0.33
TSHR P16473 2/20 0.32
PLA2G4A P47712 2/20 0.32
ALDH1A1 P00352 1/20 0.32
PLA2G4B P0C869 1/20 0.32
MAPT P10636 1/20 0.32
BLM P54132 1/20 0.32
MGLL Q99685 1/20 0.32
PLA2G4C Q9UP65 1/20 0.32
GGPS1 O95749 1/20 0.31
LPAR1 Q92633 1/20 0.30

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
SCHEMBL10867383 0.94 TSHR (0.31) TSHRALDH1A1
SCHEMBL10866796 0.85
SCHEMBL20580465 0.77 TSHR (0.41) FAAHCES1TSHRLPAR1
SCHEMBL8986844 0.77 TSHR (0.41) FAAHCES1TSHRLPAR1
SCHEMBL3397854 0.73 TSHR (0.38) FAAHCES1TSHRPLA2G4AALDH1A1
SCHEMBL1405724 0.72 TSHR (0.39) FAAHTSHRALDH1A1BLMGGPS1
SCHEMBL10985168 0.71 FAAH (0.33) FAAHCES1TSHRLPAR1
SCHEMBL4506940 0.70 TSHR (0.42) FAAHTSHRBLM
SCHEMBL4498202 0.70 TSHR (0.42) FAAHTSHRBLM
SCHEMBL4505586 0.70 TSHR (0.42) FAAHTSHRBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4577040-A Method for preparing diorganopolysiloxanes containing fluoroalkyl groups WACKER-CHEMIE GMBH (DE) 1986-03-18 US disclosed