SCHEMBL8358756

SCHEMBL8358756

C=C(C)C(=O)OCCCN(C)C.C=C(C)C(=O)OCCN(C)C.C=CN1CCCC1=O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GAA P10253 1/20 0.31
THRB P10828 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRM3 P20309 1/20 0.30
CHRNA4 P43681 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
SCHEMBL6396065 0.98 TSHR (0.37) TSHRPOLBAPEX1HTTTDP1
SCHEMBL8356933 0.98 TSHR (0.37) TSHRPOLBAPEX1HTTTDP1
SCHEMBL211012 0.95 THRB (0.33) TSHRPOLBAPEX1HTTTDP1
Sulfuric Acid SCHEMBL4396939 0.91 THRB (0.31) TSHRTHRBCHRM2CHRM4CHRM5
SCHEMBL31513756 0.91 THRB (0.32) TSHRTHRBCHRM2CHRM4CHRM5
SCHEMBL4400065 0.88
Sulfuric Acid Dimethyl Ester SCHEMBL462142 0.88
SCHEMBL3627211 0.88 TSHR (0.43) TSHRPOLBAPEX1HTTTDP1
Sulfuric Acid Diethyl Ester SCHEMBL444003 0.86 THRB (0.33) THRB
SCHEMBL28333248 0.86 THRB (0.41) TSHRPOLBAPEX1HTTTDP1

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-1999031152-A1 VINYL PYRROLIDONE POLYMERS SUBSTANTIALLY FREE OF VINYL LACTAM MONOMER ISP INVESTMENTS INC. (US) 1999-06-24 WO disclosed
US-5830964-A DECOLORING, DEODORIZING, POROUS SULFONIC OR CARBOXYLIC ACID RESIN ISP INVESTMENTS INC. (US) 1998-11-03 US disclosed