SCHEMBL3709992

SCHEMBL3709992

CC(C)(O)C(=O)O.OCCON(OCCO)OCCO

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
ALDH1A1 P00352 1/20 0.48
HMGCR P04035 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 1/20 0.31
PPARA Q07869 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 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
Acetic Acid SCHEMBL5874701 0.81 FFAR3 (0.37) TSHRALDH1A1
Bicarbonate SCHEMBL2588842 0.81 TSHR (0.35) TSHR
Trifluoroacetic Acid SCHEMBL5874612 0.80
Trichloroacetic Acid SCHEMBL5875458 0.80 ALDH1A1 (0.46) TSHRALDH1A1
Oxalic Acid SCHEMBL5875016 0.79 TSHR (0.33) TSHR
Citric Acid SCHEMBL3853183 0.78 ALDH1A1 (0.58) TSHRALDH1A1HMGCRCHRM1TBXA2R
Propionic Acid SCHEMBL3844797 0.77 FFAR3 (0.48) TSHRALDH1A1
2-Methoxyethanol SCHEMBL6368510 0.77 ALDH1A1 (0.52) TSHRALDH1A1HMGCRCHRM1TBXA2R
Ethane SCHEMBL5181947 0.75 TSHR (0.39) TSHRALDH1A1
SCHEMBL30539 0.75 TSHR (0.44) TSHRALDH1A1

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
WO-2012063120-A1 UNDERLAYER DEVELOPABLE COATING COMPOSITIONS AND PROCESSES THEREOF AZ ELECTRONIC MATERIALS USA CORP. (US) 2012-05-18 WO disclosed
US-20120122029-A1 Underlayer Developable Coating Compositions and Processes Thereof AZ ELECTRONIC MATERIALS USA CORP. 2012-05-17 US disclosed