SCHEMBL2401422

SCHEMBL2401422

C=C(C)C(=O)OCC(=C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
THRB P10828 1/20 0.45
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 2/20 0.37
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
HTT P42858 1/20 0.37
TET2 Q6N021 4/20 0.34
TET3 O43151 1/20 0.32
TET1 Q8NFU7 1/20 0.32
GRIK1 P39086 1/20 0.31
GRIK2 Q13002 1/20 0.31
GRM1 Q13255 1/20 0.31
GRM2 Q14416 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ELANE P08246 1/20 0.31

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 SCHEMBL28074348 0.82 TSHR (0.48) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL28747006 0.81 TSHR (0.52) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL1047543 0.81 TSHR (0.52) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL352316 0.81 ALDH1A1 (0.42) TSHRALDH1A1TDP1TET2TET3
SCHEMBL75506 0.81 TSHR (0.52) TSHRTHRBALDH1A1TDP1POLB
Methacrylic Acid SCHEMBL8424556 0.80 TSHR (0.47) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL887246 0.80 TSHR (0.47) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL17684955 0.80 TET2 (0.33) TSHRTHRBALDH1A1HTTTET2
Hydrochloric Acid SCHEMBL865705 0.79 TSHR (0.50) TSHRTHRBALDH1A1TDP1POLB
Ammonia Solution, Strong SCHEMBL9653768 0.79 TSHR (0.50) TSHRTHRBALDH1A1TDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8012461-B2 Biofilm remover Wireley Corporation Pty Ltd (AU) 2011-09-06 US disclosed
US-20080317877-A1 Biofilm Remover WHITELEY CORPORATION PTY. LTD. (AU) 2008-12-25 US disclosed
WO-2005120592-A1 BIOFILM REMOVER WHITELEY CORPORATION PTY LTD (AU) 2005-12-22 WO disclosed
US-6329123-B1 A PHOTOPOLYMERIZABLE ACRYLATE-FUNCTIONAL URETHANE OLIGOMER, WHEREIN THE ACRYLATE FUNCTIONALITY IS SEPARATED FROM THE URETHANE LINKAGE BY AT LEAST TWO ALKYLENE OXIDE GROUPS AND AT LEAST ONE RING-OPENED LACTONE GROUP; NEGATIVE; PRINTED CIRCUIT MORTON INTERNATIONAL INC. 2001-12-11 US disclosed
US-6322951-B1 PHOTOPOLYMERIZABLE COMPONENT COMPRISES A (METH)ACRYLATE FUNCTIONAL URETHANE OLIGOMER SEPARATED FROM THE URETHANE LINKAGE BY AT LEAST TWO ALKYLENE OXIDE GROUPS AND AT LEAST ONE RING-OPENED LACTONE GROUP FOR IMPROVED FLEXIBILITY NORTON INTERNATIONAL, INC. 2001-11-27 US disclosed
US-6319653-B1 FOR DRY FILM PHOTORESISTS USEFUL IN THE MANUFACTURE OF PRINTED CIRCUIT BOARDS MORTON INTERNATIONAL INC. 2001-11-20 US disclosed
EP-1008911-A1 Photoimageable compositions having improved flexibility and stripping ability Shipley Company LLC (US) 2000-06-14 EP disclosed
EP-1008910-A1 Photoimageable compositions having improved stripping ability and resolution Shipley Company LLC (US) 2000-06-14 EP disclosed