SCHEMBL9337651

SCHEMBL9337651

C=CC(=O)OC(CO)Oc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.47
PPARG P37231 6/20 0.38
PPARA Q07869 6/20 0.38
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
TGM2 P21980 1/20 0.36
AKT1 P31749 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ALOX15 P16050 1/20 0.34
CYP3A4 P08684 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 2/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
PDE6D O43924 1/20 0.34

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
SCHEMBL2769911 0.89 GAA (0.46) THRBPPARAGAASMN1; SMN2ALDH1A1
SCHEMBL1830713 0.88 THRB (0.45) THRBPPARGPPARAMTNR1AMTNR1B
SCHEMBL17792519 0.86 PPARG (0.48) THRBPPARGPPARA
SCHEMBL218320 0.86 THRB (0.46) THRBPPARGPPARAMTNR1AMTNR1B
Acrylic Acid SCHEMBL29368977 0.85 THRB (0.44) THRBPPARGPPARAMTNR1AMTNR1B
SCHEMBL5355849 0.84 THRB (0.53) THRBPPARGPPARAMTNR1AMTNR1B
Ethylene Glycol SCHEMBL517990 0.84 THRB (0.49) THRBPPARGPPARAMTNR1AMTNR1B
SCHEMBL3053163 0.83 THRB (0.44) THRBPPARGPPARAMTNR1AMTNR1B
SCHEMBL183158 0.83 THRB (0.44) THRBPPARGPPARAMTNR1AMTNR1B
SCHEMBL9491739 0.81 THRB (0.43) THRBPPARGPPARATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113286560-A Orthodontic articles and methods of making and post-treating the same 3M创新有限公司 2021-08-20 CN disclosed
CN-112367959-A Orthodontic articles comprising cured free-radically polymerizable compositions having improved strength in aqueous environments 3M创新有限公司 2021-02-12 CN disclosed
CN-111868125-A Photopolymerizable compositions, articles, and methods comprising polypropylene oxide components 3M创新有限公司 2020-10-30 CN disclosed
CN-111615377-A Orthodontic articles comprising cured free-radically polymerizable compositions containing polymers or macromolecules with photoinitiating groups 3M创新有限公司 2020-09-01 CN disclosed
EP-0377927-B1 The use of azole accelerators in anaerobic compositions THREE BOND CO LTD (JP) 1994-05-04 EP disclosed
EP-0377927-A1 The use of azole accelerators in anaerobic compositions THREE BOND CO., LTD. (JP) 1990-07-18 EP disclosed