SCHEMBL6908797

SCHEMBL6908797

O=C([O-])C1CCCCC1.O=C([O-])C1CCCCC1.[Cd+2]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.55
CES1 P23141 1/20 0.55
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
TSHR P16473 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CA12 O43570 4/20 0.44
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
CA9 Q16790 4/20 0.44
HSD11B1 P28845 2/20 0.39
EPHX1 P07099 6/20 0.38
RECQL P46063 1/20 0.38
HSD11B2 P80365 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL6916650 1.00 CES2 (0.55) CES2CES1HDAC8HDAC6TSHR
SCHEMBL6915157 1.00 CES2 (0.55) CES2CES1HDAC8HDAC6TSHR
SCHEMBL6914897 0.97 CES2 (0.50) CES2CES1HDAC8HDAC6TSHR
SCHEMBL11608975 0.94 CES2 (0.55) CES2CES1HDAC8HDAC6TSHR
SCHEMBL5079485 0.94 CES2 (0.55) CES2CES1HDAC8HDAC6TSHR
SCHEMBL23530251 0.94 CES2 (0.55) CES2CES1HDAC8HDAC6TSHR
SCHEMBL6914870 0.94 CES2 (0.55) CES2CES1HDAC8HDAC6TSHR
SCHEMBL6908748 0.94 CES2 (0.55) CES2CES1HDAC8HDAC6TSHR
SCHEMBL4439197 0.94 CES2 (0.55) CES2CES1HDAC8HDAC6TSHR
SCHEMBL6913757 0.94 CES2 (0.55) CES2CES1HDAC8HDAC6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6830704-B2 Contains a Lewis acid metal salt and a compound having clathrating ability. TOAGOSEI CO., LTD. (JP) 2004-12-14 US disclosed
US-20030135016-A1 Contains a Lewis acid metal salt and a compound having clathrating ability. TOAGOSEI CO., LTD. 2003-07-17 US disclosed
US-6547985-B1 Adhesive mixture TOGOSEI CO., LTD. (JP) 2003-04-15 US disclosed
US-5512319-A COATING FABRIC WITH SILICONE SURFACTANT DISSOLVED IN WATER, EXPANDING POLYURETHANE FOAMING MIXTURE IN CONTACT WITH COATED FABRIC BASF CORPORATION (US) 1996-04-30 US disclosed
US-4764543-A Microcellular foamed or reaction injection molded polyurethane/polyureas employing amine terminated polymers and diamine chain extenders THE DOW CHEMICAL COMPANY (US) 1988-08-16 US disclosed
US-4757095-A Polyurethane-polyurea composition comprising reaction product of a mixture of diphenylmethane diisocyanate and uretonimine modified diisocyanate, polyol, with a lactone and a lactam, an alkane diol, and catalyst BASF CORPORATION (US) 1988-07-12 US disclosed
US-4633002-A Aminofunctional polysiloxane compounds and method of preparation therefor Piskoti, Charles (US) 1986-12-30 US disclosed
US-4596685-A Reacting polyisocyanate, polyols, and oxyethylated amine BASF CORPORATION (US) 1986-06-24 US disclosed
US-4588542-A INJECTION, CURING A FOAMABLE POLYURETHANE IN TIRE MOLD G. P. PLASTICS, INC. (US) 1986-05-13 US disclosed
EP-0107108-B1 ALKYLATED VICINAL TOLUENEDIAMINES AND THEIR USE AS CHAIN EXTENDERS IN THE PREPARATION OF POLYURETHANE-POLYUREA ELASTOMERS BASF Corporation (US) 1986-03-05 EP disclosed
EP-0045413-A1 Flexible polyurethane foam compositions and methods for the preparation BASF WYANDOTTE CORPORATION (US) 1982-02-10 EP disclosed
US-4235765-A SURFACE COATINGS FOR ATHLETIC ARENAS BASF WYANDOTTE CORPORATION (US) 1980-11-25 US disclosed
US-4232127-A POLYMERIZATION CATALYSTS, CONDENSATION POLYMERIZATION BASF WYANDOTTE CORPORATION (US) 1980-11-04 US disclosed
US-4210728-A Preparation of high resiliency polyurethane foams BASF WYANDOTTE CORPORATION (US) 1980-07-01 US disclosed
US-4175155-A GLASS FIBER MAT WITH FOAMED, CURED POLYURETHANE RESIN GAF CORPORATION (US) 1979-11-20 US disclosed
EP-0003954-A1 Reactive polyol compositions and high resiliency polyurethane foams obtained by using these compositions BASF WYANDOTTE CORPORATION (US) 1979-09-19 EP disclosed
US-3994837-A Urethane-modified carbodiimide-isocynurate foams prepared from TDI-rich isocyanates BASF WYANDOTTE CORPORATION (US) 1976-11-30 US disclosed
US-3994839-A Urethane modified carbodiimide foams derived from flame retardant polyols BASF WYANDOTTE CORPORATION (US) 1976-11-30 US disclosed
US-3981828-A ISOCYANATE TRIMERIZATION CATALYSTS BASF WYANDOTTE CORPORATION (US) 1976-09-21 US disclosed
US-3969288-A Carbodiimide-isocyanurate foams prepared from acid-modified toluene diisocyanate BASF WYANDOTTE CORPORATION (US) 1976-07-13 US disclosed