SCHEMBL6908867

SCHEMBL6908867

C=CC(=O)OC=CC(COC(C)=O)OC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.41
TDP1 Q9NUW8 1/20 0.39
CYP3A4 P08684 3/20 0.37
USP2 O75604 2/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
RECQL P46063 1/20 0.37
ALDH1A1 P00352 4/20 0.33
HPGD P15428 2/20 0.33
TP53 P04637 2/20 0.32
HIF1A Q16665 2/20 0.32
HSD17B10 Q99714 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
SCHEMBL8773335 0.84 TDP1 (0.44) TSHRTDP1CYP3A4USP2MAPT
SCHEMBL26108607 0.80 TDP1 (0.41) TSHRTDP1CYP3A4USP2MAPT
SCHEMBL93558 0.75 TDP1 (0.48) TSHRTDP1CYP3A4USP2MAPT
SCHEMBL93559 0.75 TDP1 (0.48) TSHRTDP1CYP3A4USP2MAPT
SCHEMBL10948262 0.73 TDP1 (0.47) TSHRTDP1CYP3A4USP2MAPT
SCHEMBL10948272 0.73 TDP1 (0.47) TSHRTDP1CYP3A4USP2MAPT
SCHEMBL11685621 0.73 TSHR (0.55) TSHRTDP1CYP3A4USP2MAPT
Acrylic Acid SCHEMBL6908863 0.73 TDP1 (0.43) TSHRTDP1CYP3A4USP2MAPT
SCHEMBL8158162 0.72 USP2 (0.41) TSHRTDP1CYP3A4USP2MAPT
SCHEMBL28104973 0.71 TDP1 (0.39) TSHRTDP1CYP3A4USP2MAPT

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-6699931-B2 DURABILITY, CHEMICAL RESISTANCE, WEATHERPROOFING EASTMAN CHEMICAL COMPANY 2004-03-02 US claimed
US-20030018110-A1 Modified alkyd compositions comprising diol latex compositions and processes of making the same EASTMAN CHEMICAL COMPANY 2003-01-23 US claimed