SCHEMBL2456547

SCHEMBL2456547

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
TP53 P04637 1/20 0.44
ALDH1A1 P00352 4/20 0.40
SRD5A2 P31213 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA12 O43570 1/20 0.39
CA3 P07451 1/20 0.39
TYR P14679 1/20 0.39
DRD1 P21728 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
ALOX15 P16050 1/20 0.38
TPMT P51580 1/20 0.38

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
SCHEMBL2456544 0.92 ELANE (0.36) ALDH1A1CA1CA2CA12CA7
SCHEMBL10600520 0.83 UNG (0.42) TP53ALDH1A1L3MBTL1CA1CA2
Terephthalic Acid SCHEMBL10597108 0.82 TSHR (0.50) TSHRTP53ALDH1A1SRD5A2L3MBTL1
SCHEMBL10424970 0.80 TP53 (0.43) TSHRTP53ALDH1A1SRD5A2L3MBTL1
SCHEMBL11818005 0.77 TSHR (0.36) TSHRTP53ALDH1A1SRD5A2L3MBTL1
SCHEMBL351316 0.75 TSHR (0.50) TSHRTP53ALDH1A1SRD5A2CA1
SCHEMBL7115499 0.75 TSHR (0.50) TSHRTP53ALDH1A1SRD5A2CA1
SCHEMBL3720233 0.73 TP53 (0.39) TSHRTP53ALDH1A1SRD5A2L3MBTL1
SCHEMBL11222731 0.72 TSHR (0.52) TSHRTP53ALDH1A1SRD5A2CA1
SCHEMBL527251 0.72 CA1 (0.54) TSHRTP53ALDH1A1SRD5A2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0197806-B1 ADHESIVE LAYER BASED ON POLYURETHANE, AND ITS USE IN LAMINATED GLASS SAINT GOBAIN VITRAGE INTERNATIONAL (FR) 1989-04-19 EP claimed
US-4104263-A ANTIMONY OR ZIRCONIUM CARBOXYLATES, CALCIUM MANGANESE OR ZINC CARBOXYLATES, ANHYDRIDES, ALCOHOLS, OR GLYCOLS M&T CHEMICALS INC. (US) 1978-08-01 US claimed
CN-110776629-A Cationic dyeable polyester and preparation method thereof 远东新世纪股份有限公司 2020-02-11 CN disclosed
EP-1671999-B1 PROCESS FOR PRODUCING POLYALKYLENE TEREPHTHALATE, PROCESS FOR PRODUCING POLYALKYLENE TEREPHTHALATE MOLDING AND POLYALKYLENE TEREPHTHALATE MOLDING ASAHI CHEMICAL IND (JP) 2016-12-07 EP disclosed
EP-2565226-A1 Method of obtaining aromatic polyester-ether polyols from waste poly (ethylene terephthalate) (PET) and aromatic polyester-ether polyols incorporating poly(ethylene terephthalate) wastes and renewable materials, obtained by respective procedure Institutul National de Cercetare Dezvoltare Pentru Chimie si Petrochimie - Icechim (RO) 2013-03-06 EP disclosed
US-8013107-B2 Process for producing polyalkylene terephthalate, process for producing polyalkylene terephthalate molding and polyalkylene terephthalate molding ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-09-06 US disclosed
US-20080274320-A1 Process for Producing Polyalkylene Terephthalate, Process for Producing Polyalkylene Terephthalate Molding and Polyalkylene Terephthalate Molding ASAHI KASEI CHEMICALS CORPORATION (JP) 2008-11-06 US disclosed
EP-1671999-A1 PROCESS FOR PRODUCING POLYALKYLENE TEREPHTHALATE, PROCESS FOR PRODUCING POLYALKYLENE TEREPHTHALATE MOLDING AND POLYALKYLENE TEREPHTHALATE MOLDING Asahi Kasei Chemicals Corporation (JP) 2006-06-21 EP disclosed
EP-0890622-B1 COATING COMPOSITION FOR PRECOATED STEEL SHEET, PRECOATED STEEL SHEET, AND PROCESS FOR PREPARING THE SAME JFE STEEL CORP (JP) 2004-07-21 EP disclosed
JP-2002087999-A METHOD FOR RECOVERING EFFECTIVE COMPONENT FROM POLYESTER WASTE TEIJIN LTD 2002-03-27 JP disclosed
US-6136455-A THERMOSETTING COATING COMPOSITION FOR PRECOATED STEEL SHEETS WHICH ARE REQUIRED TO HAVE HIGH HARDNESS, GOOD WORKABILITY AND STAIN RESISTANCE NKK CORPORATION (JP) 2000-10-24 US disclosed
US-6018013-A CONSISTS OF A POLYESTER OF GIVEN FORMULA DERIVED FROM 1,4-CYCLOHEXANEDICARBOXYLIC ACID AND A DIOL; A POLYOL; AND CURING AGENT; WORKABILITY AND HARDNESS NKK CORPORATION (JP) 2000-01-25 US disclosed
EP-0890622-A1 COATING COMPOSITION FOR PRECOATED STEEL SHEET, PRECOATED STEEL SHEET, AND PROCESS FOR PREPARING THE SAME NKK CORPORATION (JP) 1999-01-13 EP disclosed
US-5817731-A POLYESTERDIOL NKK CORPORATION (JP) 1998-10-06 US disclosed
US-5782935-A DISPERSE DYES DEGUSSA AKTIENGESELLSCHAFT (DE) 1998-07-21 US disclosed