SCHEMBL4579751

SCHEMBL4579751

C=CC(=O)OC(C)COC(=O)c1ccc(O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.51
ADRB1 P08588 2/20 0.51
ADRB3 P13945 2/20 0.51
ESR1 P03372 3/20 0.49
CA12 O43570 3/20 0.49
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA7 P43166 3/20 0.49
CA9 Q16790 3/20 0.49
CA14 Q9ULX7 3/20 0.49
ESR2 Q92731 1/20 0.49
TSHR P16473 3/20 0.46
ALDH1A1 P00352 3/20 0.46
CHRM1 P11229 1/20 0.46
SLC6A2 P23975 1/20 0.46
KDR P35968 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPK1 P28482 2/20 0.44

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
SCHEMBL28773773 0.94 TSHR (0.49) ADRB2ADRB1ADRB3TSHRALDH1A1
SCHEMBL1152390 0.89 MAPT (0.56) ADRB2ADRB1ADRB3TSHRALDH1A1
SCHEMBL27845251 0.87 ALDH1A1 (0.53) ADRB2ADRB1ADRB3TSHRALDH1A1
SCHEMBL1580003 0.85 CA12 (0.62) ADRB2ADRB1ADRB3ESR1CA12
SCHEMBL14483821 0.84 ADRB2 (0.52) ADRB2ADRB1ADRB3ESR1CA12
SCHEMBL29161907 0.83 ADRB2 (0.45) ADRB2ADRB1ADRB3TSHRALDH1A1
SCHEMBL4639862 0.82 PTPN1 (0.46) ADRB2ADRB1ADRB3ESR1CA12
SCHEMBL23013894 0.81 TSHR (0.37) ADRB2ADRB1ADRB3TSHRMAPT
SCHEMBL4579636 0.80 ADRB2 (0.51) ADRB2ADRB1ADRB3ESR1CA12
SCHEMBL27883481 0.80 TSHR (0.44) ADRB2ADRB1ADRB3CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1298490-B1 Photopolymerizable composition and recording material FUJIFILM CORP (JP) 2008-08-13 EP disclosed
US-7399569-B2 Method for producing microcapsules, microcapsules, recording material, and heat-sensitive recording material FUJIFILM CORPORATION (JP) 2008-07-15 US disclosed
US-7220529-B2 Photopolymerizable composition and recording material using the same FUJIFILM CORPORATION (JP) 2007-05-22 US disclosed
US-20070047038-A1 Hologram recording method, hologram recording material, optical recording medium FUJI PHOTO FILM CO., LTD. 2007-03-01 US disclosed
US-20070048666-A1 Two-photon recording method, two-photon absorption recording material, two-photon absorption recording-reproduction method and optical recoding medium FUJI PHOTO FILM CO., LTD. 2007-03-01 US disclosed
EP-1254780-B1 Recording material FUJI PHOTO FILM CO LTD (JP) 2007-01-03 EP disclosed
US-20050186504-A1 Photopolymerizable composition and recording material using the same FUJI PHOTO FILM CO., LTD. 2005-08-25 US disclosed
US-20050187102-A1 Method for producing microcapsules, microcapsules, recording material, and heat-sensitive recording material FUJI PHOTO FILM CO., LTD. 2005-08-25 US disclosed
US-20050158548-A1 Microcapsule, manufacturing method thereof and recording material FUJI PHOTO FILM CO., LTD. 2005-07-21 US disclosed
US-6919159-B2 Photopolymerizable composition and recording material using the same FUJI PHOTO FILM CO., LTD. (JP) 2005-07-19 US disclosed
US-20020182530-A1 Polymerizable compound having an ethylenic unsaturated bond, a methine dye, and a radical generator that interacts with the dye to generate a radical FUJI PHOTO FILM CO., LTD. 2002-12-05 US disclosed
US-20020168494-A1 Photopolymerizable composition and photosensitive thermal recording material FUJI PHOTO FILM CO., LTD. 2002-11-14 US disclosed
EP-1254780-A2 Recording material and image forming method Fuji Photo Film Co., Ltd. (JP) 2002-11-06 EP disclosed
US-20020142244-A1 Photopolymerizable composition and recording material FUJI PHOTO FILM CO., LTD. 2002-10-03 US disclosed
US-20020051926-A1 Cyanine-based organic dyes, photopolymerizable compositions, and recording materials FUJI PHOTO FILM CO., LTD. (JP) 2002-05-02 US disclosed
US-6022664-A MIXTURE OF A POLYMERIZABLE VINYL MONOMER AND ORGANIC BORATE COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 2000-02-08 US disclosed
EP-0412570-B1 Light- and heat-sensitive recording material FUJI PHOTO FILM CO LTD (JP) 1996-07-10 EP disclosed
US-5376495-A Microcapsules from solution containing component capable of undergoing color development or achromatization and volatile solvent FUJI PHOTO FILM CO., LTD. (JP) 1994-12-27 US disclosed
US-5091280-A Photothermography; microencapsulated leuco dyes, polymerizable vinyl monomer, photoinitiator electron acceptive developer FUJI PHOTO FILM CO., LTD. (JP) 1992-02-25 US disclosed
EP-0412570-A2 Light- and heat-sensitive recording material FUJI PHOTO FILM CO., LTD. (JP) 1991-02-13 EP disclosed