SCHEMBL3379249

SCHEMBL3379249

C=CC(=O)[C](CCO)CCO

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.37
LMNA P02545 1/20 0.33
ALDH1A1 P00352 4/20 0.32
FGFR4 P22455 1/20 0.32
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL806469 0.76
SCHEMBL739150 0.71
SCHEMBL2751659 0.67
SCHEMBL9297849 0.67 ABCC4 (0.32) TSHR
Acrylic Acid SCHEMBL2368474 0.67 LMNA (0.56) TSHRLMNAMAPK1TDP1
SCHEMBL16346635 0.65 ALDH1A1 (0.58) TSHRLMNAALDH1A1FGFR4TDP1
Acrylic Acid SCHEMBL28154241 0.65 TSHR (0.40) TSHRLMNAALDH1A1FGFR4MAPK1
Succinic Acid SCHEMBL28525310 0.63 LMNA (0.45) TSHRLMNAALDH1A1MAPK1
Acrylic Acid SCHEMBL36466 0.63
Acrylic Acid SCHEMBL11406925 0.63 LMNA (0.71) TSHRLMNAALDH1A1FGFR4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016205-A1 USE OF IONIC LIQUIDS AS AN ADDITIVE FOR CLEANING PROCESSES IN LIQUEFIED AND/OR SUPERCRITICAL GAS EVONIK GOLDSCHMIDT GMBH (DE) 2010-01-21 US claimed
US-20100016205-A1 USE OF IONIC LIQUIDS AS AN ADDITIVE FOR CLEANING PROCESSES IN LIQUEFIED AND/OR SUPERCRITICAL GAS EVONIK GOLDSCHMIDT GMBH (DE) 2010-01-21 US disclosed