SCHEMBL10840633

SCHEMBL10840633

C=C(C)C(=O)OCCO.CCC(CO)(CO)CO

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.50
TSHR P16473 4/20 0.49
ALDH1A1 P00352 3/20 0.36
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ACHE P22303 1/20 0.33
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

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
Methacrylic Acid SCHEMBL29261096 0.95 THRB (0.46) THRBTSHRALDH1A1POLBAPEX1
Ethylene Glycol SCHEMBL22409556 0.93 THRB (0.55) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL28403594 0.91 THRB (0.50) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL9167028 0.88 THRB (0.62) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL19043109 0.88 THRB (0.62) THRBTSHRALDH1A1POLBAPEX1
Water SCHEMBL1354585 0.88 TSHR (0.51) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL9555330 0.88 THRB (0.62) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL8005456 0.86 THRB (0.47) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL15667705 0.85 THRB (0.44) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL2464206 0.85 THRB (0.46) THRBTSHRALDH1A1POLBAPEX1

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-4612209-A PHOTOPOLYMERIZABLE ACRYLIC ACIDS OR ESTERS AND EPOXYIDE RESIN CIBA-GEIGY CORPORATION (US) 1986-09-16 US disclosed