SCHEMBL1201601

SCHEMBL1201601

C=CC(=O)OC(=O)C(O)CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
TSHR P16473 7/20 0.39
ALDH1A1 P00352 4/20 0.38
TP53 P04637 3/20 0.38
HIF1A Q16665 3/20 0.38
CYP3A4 P08684 2/20 0.38
HSD17B10 Q99714 1/20 0.38
THRB P10828 1/20 0.36
SLC22A6 Q4U2R8 1/20 0.36
MAPK1 P28482 1/20 0.34
HPGD P15428 1/20 0.34
GABRR1 P24046 2/20 0.31
LMNA P02545 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL11801957 0.84 TSHR (0.39) SMN1; SMN2TSHRALDH1A1TP53HIF1A
SCHEMBL5081389 0.83 SMN1; SMN2 (0.46) SMN1; SMN2SLC22A6GABRR1LMNATDP1
Ethylene SCHEMBL459401 0.83 TSHR (0.37) SMN1; SMN2TSHRALDH1A1TP53HIF1A
SCHEMBL11801952 0.83 SMN1; SMN2 (0.35) SMN1; SMN2TSHRALDH1A1TP53HIF1A
SCHEMBL5132572 0.81 TSHR (0.36) SMN1; SMN2TSHRALDH1A1TP53HIF1A
SCHEMBL8416378 0.81 TSHR (0.53) SMN1; SMN2TSHRALDH1A1TP53HIF1A
SCHEMBL5670120 0.81 TSHR (0.37) SMN1; SMN2TSHRALDH1A1TP53HIF1A
Ethylene SCHEMBL3909087 0.81 SMN1; SMN2 (0.52) SMN1; SMN2SLC22A6GABRR1LMNATDP1
SCHEMBL180343 0.80 SMN1; SMN2 (0.57) SMN1; SMN2TSHRSLC22A6GABRR1LMNA
Allyl Alcohol SCHEMBL9630023 0.80 SMN1; SMN2 (0.43) SMN1; SMN2TSHRSLC22A6GABRR1LMNA

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0973482-B2 DENTAL PRIMER COMPOSITIONS MINNESOTA MINING & MFG (US) 2020-03-18 EP disclosed
US-8317516-B2 Dental mill blanks 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-11-27 US disclosed
US-20110045436-A1 DENTAL MILL BLANKS 3M INNOVATIVE PROPERTIES COMPANY 2011-02-24 US disclosed
US-7845947-B2 Dental mill blanks 3M INNOVATIVE PROPERTIES COMPANY (US) 2010-12-07 US disclosed
US-20070269768-A1 DENTAL MILL BLANKS 3M INNOVATIVE PROPERTIES COMPANY 2007-11-22 US disclosed
US-7255562-B2 Dental mill blanks 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-08-14 US disclosed
EP-0973482-B1 DENTAL PRIMER COMPOSITIONS MINNESOTA MINING & MFG (US) 2005-01-19 EP disclosed
EP-1143915-B1 DENTAL MILL BLANKS 3M INNOVATIVE PROPERTIES CO (US) 2004-12-01 EP disclosed
US-20030157357-A1 Dental mill blanks 3M INNOVATIVE PROPERTIES COMPANY 2003-08-21 US disclosed
EP-0873107-B1 FLUORIDE-RELEASING COMPOSITIONS MINNESOTA MINING & MFG (US) 2003-05-28 EP disclosed
WO-2000040206-A1 DENTAL MILL BLANKS 3M INNOVATIVE PROPERTIES COMPANY (US) 2000-07-13 WO disclosed
EP-0975306-A1 DENTAL COMPOSITIONS WITH IMPROVED HANDLING CAPABILITIES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 2000-02-02 EP disclosed
EP-0973482-A1 DENTAL PRIMER COMPOSITIONS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 2000-01-26 EP disclosed
US-5922786-A PART A COMPRISES AN ACIDIC POLYMERIZABLE COMPOUND AND POLYMERIZABLE DILUENT SELECTED SO THAT IF WATER IS PRESENT, THE PH OF PART A IS GREATER THAN 2; PART B COMPRISES AN ACIDIC MATERIAL SUCH THAT THE PH IS 2; NO ETCHING STEP NEEDED MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-07-13 US disclosed
EP-0873107-A1 FLUORIDE-RELEASING COMPOSITIONS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-10-28 EP disclosed
EP-0873106-A1 USE OF METALLOFLUOROCOMPLEXES FOR DENTAL COMPOSITIONS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-10-28 EP disclosed
WO-1998046197-A1 DENTAL COMPOSITIONS WITH IMPROVED HANDLING CAPABILITIES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-10-22 WO disclosed
WO-1998046198-A1 DENTAL PRIMER COMPOSITIONS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-10-22 WO disclosed
WO-1997018791-A1 USE OF METALLOFLUOROCOMPLEXES FOR DENTAL COMPOSITIONS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-05-29 WO disclosed
WO-1997018792-A1 FLUORIDE-RELEASING COMPOSITIONS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-05-29 WO disclosed