SCHEMBL33451

SCHEMBL33451

C=C(C)C(=O)OCCc1cc[c]cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.47
TDP1 Q9NUW8 3/20 0.42
POLB P06746 1/20 0.42
APEX1 P27695 1/20 0.42
HTT P42858 1/20 0.42
TSHR P16473 4/20 0.42
CA1 P00915 2/20 0.37
CA2 P00918 1/20 0.37
HCAR2 Q8TDS4 1/20 0.35
ALDH1A1 P00352 2/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
THRA P10827 1/20 0.33
TP53 P04637 1/20 0.33
GLA P06280 1/20 0.33

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
SCHEMBL15814717 0.90 TSHR (0.47) THRBTDP1POLBAPEX1HTT
SCHEMBL11921516 0.88 THRB (0.55) THRBTDP1POLBAPEX1HTT
SCHEMBL22566492 0.86 THRB (0.53) THRBTDP1POLBAPEX1HTT
SCHEMBL15814363 0.83 ALDH1A1 (0.43) THRBTDP1POLBAPEX1HTT
SCHEMBL10457799 0.83 THRB (0.50) THRBTDP1POLBAPEX1HTT
SCHEMBL42893 0.83 HCAR2 (0.51) THRBTDP1POLBAPEX1HTT
SCHEMBL5775772 0.82 ALDH1A1 (0.41) TDP1TSHRCA1HCAR2ALDH1A1
SCHEMBL5032142 0.82 POLB (0.55) THRBTDP1POLBAPEX1HTT
SCHEMBL27630761 0.81 THRB (0.42) THRBTDP1POLBAPEX1HTT
SCHEMBL7467173 0.81 THRB (0.49) THRBTDP1POLBAPEX1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2492289-B1 POLYMERIZABLE COMPOSITION AND DENTAL MATERIAL KURARAY NORITAKE DENTAL INC (JP) 2020-03-18 EP claimed
EP-2716276-B1 Kit and method for indirect chair-side production of composite inlays VOCO GMBH (DE) 2019-04-24 EP claimed
EP-2628476-B1 FILLER CONTAINING COMPOSITION AND PROCESS FOR PRODUCTION AND USE THEREOF 3M INNOVATIVE PROPERTIES CO (US) 2018-03-28 EP claimed
EP-2248835-B1 CURABLE COMPOSITION KANEKA CORP (JP) 2015-10-14 EP claimed
EP-1973587-A2 METHODS AND SYSTEMS FOR PREPARING ANTIMICROBIAL FILMS AND COATINGS Allaccem, Inc. (US) 2008-10-01 EP claimed
WO-2007070801-A2 METHODS AND SYSTEMS FOR PREPARING ANTIMICROBIAL FILMS AND COATINGS ALLACCEM, INC. (US) 2007-06-21 WO claimed
US-6916858-B2 Dental adhesive composition GC CORPORATION (JP) 2005-07-12 US claimed
US-6326417-B1 CONTAINING SALICYLIC ACID COMPOUND AS MICROBIOCIDES JENERIC/PENTRON INCORPORATED 2001-12-04 US claimed
EP-3848418-B1 DENTAL CURABLE COMPOSITION AND METHOD FOR PRODUCING DENTAL CURABLE COMPOSITION TOKUYAMA DENTAL CORP (JP) 2024-05-22 EP disclosed
EP-3848418-A1 COMPOSITE MATERIAL, CURABLE COMPOSITION, AND METHOD FOR PRODUCING CURABLE COMPOSITION Tokuyama Dental Corporation (JP) 2021-07-14 EP disclosed
EP-1973587-B1 METHODS AND SYSTEMS FOR PREPARING ANTIMICROBIAL FILMS AND COATINGS ALLACCEM INC (US) 2019-02-06 EP disclosed
US-9994444-B2 Bridged polycyclic compound based compositions for the inhibition and amelioration of disease ALLACCEM, INC. (US) 2018-06-12 US disclosed
US-9957395-B2 Methods and systems for coating a medical device ALLACCEM, INC. (US) 2018-05-01 US disclosed
US-9447323-B2 Method for producing liquid crystal display JSR CORPORATION (JP) 2016-09-20 US disclosed
US-6326417-B1 CONTAINING SALICYLIC ACID COMPOUND AS MICROBIOCIDES JENERIC/PENTRON INCORPORATED 2001-12-04 US disclosed
EP-1051961-A1 Bonding compositions for dental use KURARAY CO., LTD. (JP) 2000-11-15 EP disclosed
US-6071983-A FOR TREATING TOOTH SURFACE BY FACILE HANDLING; FOR RESTORING A TOOTH-SURFACE WITH COATING MATERIAL OR RESTORING DENTAL RESTORATIVE RESINS SUN MEDICAL CO., LTD. (JP) 2000-06-06 US disclosed
US-5834532-A BLEND OF POLYMERIZABLE MONOMER HAVING ACIDIC GROUPS AND AN INITIATOR SUN MEDICAL CO., LTD. (JP) 1998-11-10 US disclosed
US-5587406-A APPLYING CURABLE PRIMER COMPOSITION COMPRISING POLYMERIZABLE MONOMER HAVING ACID GROUP AND POLYMERIZABLE MONOMER HAVING HYDROXYL GROUP AND POLYMERIZATION INITIATOR TO TOOTH SUN MEDICAL CO., LTD. (JP) 1996-12-24 US disclosed
US-5530038-A CONTAINING UNSATURATED MONOMER WITH ACIDIC GROUP, UNSATURATED MONOMER WITH HYDROXYL GROUP, POLYMERIZATION INITIATOR, AMINE COMPOUND, ZIRCONIUM OXIDE AND ORGANIC COMPOSITE FILLERS SUN MEDICAL CO., LTD. (JP) 1996-06-25 US disclosed