SCHEMBL6908799

SCHEMBL6908799

O=C(O)C1CCCCC1.[Cd]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.58
CES1 P23141 1/20 0.58
TSHR P16473 3/20 0.50
GABRP O00591 1/20 0.50
GABRD O14764 1/20 0.50
GABRA1 P14867 1/20 0.50
GABRB1 P18505 1/20 0.50
GABRG2 P18507 1/20 0.50
GABRB3 P28472 1/20 0.50
GABRA5 P31644 1/20 0.50
GABRA3 P34903 1/20 0.50
GABRA2 P47869 1/20 0.50
GABRB2 P47870 1/20 0.50
GABRA4 P48169 1/20 0.50
GABRE P78334 1/20 0.50
PMP22 Q01453 1/20 0.50
GABRA6 Q16445 1/20 0.50
GABRG1 Q8N1C3 1/20 0.50
GABRG3 Q99928 1/20 0.50
GABRQ Q9UN88 1/20 0.50

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
SCHEMBL6916654 1.00 CES2 (0.58) CES2CES1TSHRGABRPGABRD
SCHEMBL6915163 1.00 CES2 (0.58) CES2CES1TSHRGABRPGABRD
SCHEMBL5493736 0.97 CES2 (0.61) CES2CES1TSHRGABRPGABRD
SCHEMBL12492077 0.97 CES2 (0.61) CES2CES1TSHRGABRPGABRD
SCHEMBL8365391 0.97 CES2 (0.61) CES2CES1TSHRGABRPGABRD
SCHEMBL25212375 0.97 CES2 (0.61) CES2CES1TSHRGABRPGABRD
SCHEMBL242069 0.97 CES2 (0.61) CES2CES1TSHRGABRPGABRD
SCHEMBL6914901 0.97
SCHEMBL1260777 0.97 CES2 (0.61) CES2CES1TSHRGABRPGABRD
SCHEMBL10188550 0.97 CES2 (0.61) CES2CES1TSHRGABRPGABRD

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