SCHEMBL21483474

SCHEMBL21483474

C=C(C)C(=O)OCCCCCCOC(=O)NC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.65
EPHX1 P07099 1/20 0.61
APEX1 P27695 2/20 0.49
POLB P06746 1/20 0.49
HTT P42858 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
THRB P10828 1/20 0.47
CHRNB2 P17787 2/20 0.44
CHRNA4 P43681 2/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
CYP2D6 P10635 1/20 0.44
CHRM1 P11229 1/20 0.44
NFKB1 P19838 1/20 0.44
CHRM3 P20309 1/20 0.44
MAPK1 P28482 1/20 0.44
CHRNA7 P36544 1/20 0.44

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
SCHEMBL8675833 0.90 THRB (0.57) TSHREPHX1APEX1POLBHTT
SCHEMBL22554423 0.86 TSHR (0.83) TSHREPHX1APEX1POLBHTT
SCHEMBL22554429 0.86 TSHR (0.83) TSHREPHX1APEX1POLBHTT
SCHEMBL22554427 0.86 TSHR (0.83) TSHREPHX1APEX1POLBHTT
SCHEMBL22023212 0.86 TSHR (0.83) TSHREPHX1APEX1POLBHTT
SCHEMBL22554404 0.86 TSHR (0.83) TSHREPHX1APEX1POLBHTT
SCHEMBL22554400 0.86 TSHR (0.83) TSHREPHX1APEX1POLBHTT
SCHEMBL22554413 0.86 TSHR (0.83) TSHREPHX1APEX1POLBHTT
SCHEMBL22554406 0.86 TSHR (0.83) TSHREPHX1APEX1POLBHTT
SCHEMBL3502350 0.86 TSHR (0.83) TSHREPHX1APEX1POLBHTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3556817-B1 FUNCTIONALIZED POLYMER COMPOSITIONS FOR LOW VOC COALESCENCE OF WATER BASED EMULSIONS UNIV AKRON (US) 2021-12-15 EP disclosed
US-11084952-B2 Functionalized polymer compositions for low VOC coalescence of water based emulsions SWIMC, LLC (US) 2021-08-10 US disclosed
US-20190322890-A1 FUNCTIONALIZED POLYMER COMPOSITIONS FOR LOW VOC COALESCENCE OF WATER BASED EMULSIONS SWIMC LLC 2019-10-24 US disclosed
EP-3556817-A1 FUNCTIONALIZED POLYMER COMPOSITIONS FOR LOW VOC COALESCENCE OF WATER BASED EMULSIONS The University of Akron (US) 2019-10-23 EP disclosed