SCHEMBL95440

SCHEMBL95440

CC=CC(=O)OCC(O)Cc1ccc(C(C)(C)c2ccc(CC(O)COC(=O)C=CC)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HTT P42858 1/20 0.35
HIF1A Q16665 1/20 0.35
AR P10275 2/20 0.35
GSTP1 P09211 1/20 0.35
POLB P06746 1/20 0.35
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
ADRB2 P07550 4/20 0.33
ADRB1 P08588 4/20 0.33
ADRB3 P13945 4/20 0.33
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
ACACB O00763 1/20 0.32

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
SCHEMBL5665294 0.88 ESR1 (0.41) GSTP1POLBTP53TSHRADRB2
SCHEMBL630578 0.85 TSHR (0.42) MEN1KMT2AHTTHIF1AAR
SCHEMBL59992 0.83 HTT (0.52) MEN1KMT2AHTTHIF1AAR
SCHEMBL28177949 0.82 THRB (0.42) MEN1KMT2APOLBACACB
SCHEMBL11516982 0.81 AR (0.47) MEN1KMT2AHTTHIF1AAR
SCHEMBL23878371 0.80 HTT (0.43) MEN1KMT2AHTTHIF1AAR
SCHEMBL11516434 0.79 ADRB2 (0.40) MEN1KMT2AHTTHIF1AAR
SCHEMBL23878372 0.79 HTT (0.42) MEN1KMT2AHTTHIF1AAR
SCHEMBL9418363 0.77 HTT (0.36) MEN1KMT2AHTTHIF1AAR
SCHEMBL95439 0.77 TSHR (0.42) MEN1KMT2AHTTHIF1AAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9079994-B2 Polymerizable compositions GC CORPORATION (JP) 2015-07-14 US claimed
US-8247470-B2 Polymerizable composition GC CORPORATION (JP) 2012-08-21 US claimed
EP-0951896-B1 Radically polymerizable dental material IVOCLAR VIVADENT AG (LI) 2005-12-21 EP claimed
US-6833425-B1 Filler for plastic formulations based on polyurethane 3M ESPE AG (DE) 2004-12-21 US claimed
EP-1222220-B1 FILLER FOR PLASTIC FORMULATIONS BASED ON POLYURETHANE 3M ESPE AG (DE) 2003-08-13 EP claimed
EP-1222220-A1 FILLER FOR PLASTIC FORMULATIONS BASED ON POLYURETHANE 3M Espe AG (DE) 2002-07-17 EP claimed
WO-2001018085-A1 FILLER FOR PLASTIC FORMULATIONS BASED ON POLYURETHANE 3M ESPE AG (DE) 2001-03-15 WO claimed
EP-0951896-A2 Radically polymerizable dental material IVOCLAR AG (LI) 1999-10-27 EP claimed
EP-0923925-A2 Polymerisable composite material IVOCLAR AG (LI) 1999-06-23 EP claimed
EP-0923926-A2 Ion leachable composite material IVOCLAR AG (LI) 1999-06-23 EP claimed
US-20240189195-A1 DENTAL POLYMERIZABLE COMPOSITION GC CORPORATION (JP) 2024-06-13 US disclosed
EP-4316452-A1 POLYMERIZABLE DENTAL COMPOSITION GC Corporation (JP) 2024-02-07 EP disclosed
EP-3689290-B1 METHOD FOR PRODUCING A PARTIAL OR TOTAL PROSTHESIS, AND PROSTHESIS OBTAINABLE BY THIS METHOD KULZER & CO GMBH (DE) 2023-11-22 EP disclosed
WO-2023190678-A1 ADHESIVE COMPOSITION FOR DENTAL USE 株式会社ジーシー 2023-10-05 WO disclosed
WO-2023188631-A1 GLASS COMPOSITION 株式会社ジーシー 2023-10-05 WO disclosed
EP-0449399-B1 POLYMERIZABLE DENTAL COMPOSITION IVOCLAR AG (LI) 1993-05-19 EP disclosed
US-5095045-A PLASTICS WHICH CURE IN A SERIES OF STEPS HAVING URETHANE, UREA, SILOXANE AND ACRYLATE GROUPS BAYER AKTIENGESELLSCHAFT (DE) 1992-03-10 US disclosed
EP-0449399-A2 Polymerizable dental composition IVOCLAR AG (LI) 1991-10-02 EP disclosed
EP-0410199-A2 Plastic material curable in multiple stages BAYER AG (DE) 1991-01-30 EP disclosed
US-4713403-A POLYMERIZABLE MONOMER, FILLER, GOLD POWDER OR GOLD-COLOR ALLOY POWDER, AND POLYMERIZATION CATALYST G-C DENTAL INDUSTRIAL CORPORATION (JP) 1987-12-15 US disclosed