SCHEMBL8733701

SCHEMBL8733701

CCCCOC(CC)OC(CC)OCC(C)O

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
HSD17B10 Q99714 1/20 0.41
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.32
SPHK1 Q9NYA1 1/20 0.31
USP2 O75604 1/20 0.31
HTT P42858 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
SCHEMBL8733936 0.92 TDP1 (0.46) TDP1HSD17B10MAPTTSHRSPHK1
SCHEMBL28916998 0.87 TDP1 (0.44) TDP1HSD17B10MAPTSPHK1USP2
SCHEMBL28917017 0.85 MAPT (0.43) TDP1HSD17B10MAPTSPHK1USP2
SCHEMBL28261946 0.84 ADRB2 (0.38) TSHR
SCHEMBL1769737 0.82 TSHR (0.32) TDP1HSD17B10TSHRSPHK1
SCHEMBL25400909 0.81 TDP1 (0.52) TDP1HSD17B10MAPTTSHRSPHK1
SCHEMBL20658229 0.80 TDP1 (0.53) TDP1HSD17B10MAPTTSHRUSP2
SCHEMBL9326196 0.80 TDP1 (0.55) TDP1HSD17B10TSHRSPHK1USP2
SCHEMBL8731768 0.79 TDP1 (0.38) TDP1HSD17B10TSHR
SCHEMBL201309 0.79 TSHR (0.48) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0647096-B1 AGRICULTURAL FORMULATIONS CONTAINING LIQUID ESTERS OF FLUROXYPYR DOWELANCO (US) 1998-08-05 EP disclosed
US-5436223-A Argricultural formulations comprising fluroxypyr esters which are liquid at 25° C. DOWELANCO (US) 1995-07-25 US disclosed
US-5374603-A Herbicides DOWELANCO (US) 1994-12-20 US disclosed