SCHEMBL3379251

SCHEMBL3379251

C=CC(=O)C(CCO)CCO

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
ALDH1A1 P00352 4/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32
LMNA P02545 1/20 0.32
FGFR4 P22455 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
SCHEMBL28494059 0.81
SCHEMBL28735582 0.78
SCHEMBL27670579 0.77
SCHEMBL6130409 0.77
SCHEMBL8743001 0.77 HDAC1 (0.50) TSHRALDH1A1CYP3A4MAPK1
SCHEMBL17145884 0.75
SCHEMBL812136 0.70
SCHEMBL18845466 0.70 CA2 (0.52) MAPK1
SCHEMBL18869041 0.70 CA2 (0.52) MAPK1
SCHEMBL9868250 0.70 TSHR (0.30) TSHR

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