SCHEMBL1138136

SCHEMBL1138136

C=C(C)C(=O)OC(C)c1c(C(=O)O)c(C(=O)O)cc(C(=O)O)c1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LDHA P00338 2/20 0.33
LDHB P07195 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
FABP3 P05413 1/20 0.32
FABP4 P15090 1/20 0.32
ALB P02768 2/20 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
SCHEMBL5522604 0.86 ALDH1A1 (0.35) LDHALDHBALDH1A1TSHRALB
SCHEMBL21314239 0.78 HCAR2 (0.33) LDHALDHBALDH1A1TSHRFABP3
SCHEMBL1276039 0.75 SLC37A4 (0.38) ALDH1A1TSHR
SCHEMBL2424121 0.73 ELANE (0.39) ALDH1A1TSHR
SCHEMBL1319506 0.73 ALDH1A1 (0.37) ALDH1A1TSHR
SCHEMBL21112015 0.72 ALDH1A1 (0.41) ALDH1A1TSHR
SCHEMBL9843288 0.72 CA12 (0.41) ALDH1A1TSHR
Pyromellitic Acid SCHEMBL727311 0.72 TSHR (0.44) TSHR
SCHEMBL22418973 0.72 LDHA (0.47) LDHALDHBALDH1A1FABP3FABP4
SCHEMBL2464292 0.71 ALDH1A1 (0.31) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1803433-B2 One-component dental adhesive composition and method of use KERR CORP (US) 2014-03-26 EP disclosed
US-7968618-B2 One-component dental adhesive compositions and method of use KERR CORPORATION (US) 2011-06-28 US disclosed
EP-1803433-B1 One-component dental adhesive composition and method of use KERR CORP (US) 2011-02-23 EP disclosed
US-20100278998-A1 ONE-COMPONENT DENTAL ADHESIVE COMPOSITIONS AND METHOD OF USE KERR CORPORATION (US) 2010-11-04 US disclosed
US-7767731-B2 One-component dental adhesive compositions and method of use KERR CORPORATION (US) 2010-08-03 US disclosed
US-20070155853-A1 One-component dental adhesive compositions and method of use KERR CORPORATION 2007-07-05 US disclosed
EP-1803433-A2 One-component dental adhesive composition and method of use Kerr Corporation (US) 2007-07-04 EP disclosed