SCHEMBL7465153

SCHEMBL7465153

C=CC(=O)OCCc1cc(C(=O)O)cc2c1C(=O)OC2=O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.41
TSHR P16473 5/20 0.36
ALDH1A1 P00352 3/20 0.36
TP53 P04637 2/20 0.36
HIF1A Q16665 2/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP3A4 P08684 1/20 0.33
TYMS P04818 1/20 0.32
HPGD P15428 1/20 0.31
HCAR2 Q8TDS4 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
SCHEMBL7469904 0.91 TSHR (0.42) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL16909947 0.83 THRA (0.31) THRB
SCHEMBL242494 0.82 HTT (0.41) THRBTSHRALDH1A1TP53HPGD
SCHEMBL3680611 0.81 TTR (0.37) THRBTSHRALDH1A1HIF1AHSD17B10
SCHEMBL3266665 0.80 THRB (0.44) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL11570988 0.78 NPC1 (0.37) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL7896830 0.77 F13A1 (0.38) THRBTSHRALDH1A1HIF1AHSD17B10
SCHEMBL3747455 0.77 F13A1 (0.38) THRBTSHRALDH1A1HIF1AHSD17B10
SCHEMBL8503573 0.77 F13A1 (0.38) THRBTSHRALDH1A1HIF1AHSD17B10
SCHEMBL16909946 0.76 THRB (0.39) THRBTSHRALDH1A1TP53HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017064042-A1 POLYMERIZABLE COMPOSITIONS BASED ON THERMALLY SPLITTABLE COMPOUNDS IVOCLAR VIVADENT AG (LI) 2017-04-20 WO claimed
EP-2755624-A1 DENTAL MATERIALS ON THE BASIS OF HIGHLY ACIDIC POLYMERISABLE BISPHOSPHONIC ACIDS Ivoclar Vivadent AG (LI) 2014-07-23 EP claimed
WO-2013083734-A1 DENTAL MATERIALS ON THE BASIS OF HIGHLY ACIDIC POLYMERISABLE BISPHOSPHONIC ACIDS IVOCLAR VIVADENT AG (LI) 2013-06-13 WO claimed
WO-2013034777-A2 DENTAL MATERIALS BASED ON MONOMERS HAVING DEBONDING-ON-DEMAND PROPERTIES IVOCLAR VIVADENT AG (LI) 2013-03-14 WO claimed
WO-2013034778-A2 DENTAL MATERIALS BASED ON COMPOUNDS HAVING DEBONDING-ON-DEMAND PROPERTIES IVOCLAR VIVADENT AG (LI) 2013-03-14 WO claimed
WO-2018046438-A1 POLYMERIZABLE COMPOSITIONS COMPRISING ACYL TIN PHOTOINITIATORS IVOCLAR VIVADENT AG (LI) 2018-03-15 WO disclosed
WO-2017064042-A1 POLYMERIZABLE COMPOSITIONS BASED ON THERMALLY SPLITTABLE COMPOUNDS IVOCLAR VIVADENT AG (LI) 2017-04-20 WO disclosed
WO-2016142118-A1 DENTAL MATERIALS BASED ON HYBRID MONOMERES IVOCLAR VIVADENT AG (LI) 2016-09-15 WO disclosed
EP-2755624-A1 DENTAL MATERIALS ON THE BASIS OF HIGHLY ACIDIC POLYMERISABLE BISPHOSPHONIC ACIDS Ivoclar Vivadent AG (LI) 2014-07-23 EP disclosed
WO-2013083734-A1 DENTAL MATERIALS ON THE BASIS OF HIGHLY ACIDIC POLYMERISABLE BISPHOSPHONIC ACIDS IVOCLAR VIVADENT AG (LI) 2013-06-13 WO disclosed
WO-2013034777-A2 DENTAL MATERIALS BASED ON MONOMERS HAVING DEBONDING-ON-DEMAND PROPERTIES IVOCLAR VIVADENT AG (LI) 2013-03-14 WO disclosed
WO-2013034778-A2 DENTAL MATERIALS BASED ON COMPOUNDS HAVING DEBONDING-ON-DEMAND PROPERTIES IVOCLAR VIVADENT AG (LI) 2013-03-14 WO disclosed
EP-1197504-A1 THERMOPLASTIC POLYMER HAVING POLAR GROUP, USE THEREOF, AND UNSATURATED COMPOUNDS HAVING POLAR GROUP Mitsui Chemicals, Inc. (JP) 2002-04-17 EP disclosed