SCHEMBL6827624

SCHEMBL6827624

C=CCOC(=O)OCC(=C)C

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 2/20 0.39
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 1/20 0.33
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL1976400 0.84 ALDH1A1 (0.43) TDP1TSHRALDH1A1HSD17B10
SCHEMBL9928 0.82 CYP3A4 (0.48) TDP1TSHRCYP3A4MAPTCACNA1B
Methacrylic Acid SCHEMBL9249508 0.81 TSHR (0.40) TDP1TSHRCYP3A4MAPTCACNA1B
Ethylene SCHEMBL3010758 0.79 CYP3A4 (0.46) TDP1TSHRCYP3A4MAPTCACNA1B
Ethylene SCHEMBL9717606 0.79 CYP3A4 (0.46) TDP1TSHRCYP3A4MAPTCACNA1B
SCHEMBL28554037 0.79 CYP3A4 (0.46) TDP1TSHRCYP3A4MAPTCACNA1B
Hydrochloric Acid SCHEMBL6485439 0.79 CYP3A4 (0.46) TDP1TSHRCYP3A4MAPTCACNA1B
Ammonia Solution, Strong SCHEMBL1972381 0.79 CYP3A4 (0.46) TDP1TSHRCYP3A4MAPTCACNA1B
SCHEMBL9551714 0.79 CYP3A4 (0.46) TDP1TSHRCYP3A4MAPTCACNA1B
SCHEMBL15643502 0.79 CYP3A4 (0.37) TDP1TSHRCYP3A4MAPTCACNA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6739720-B2 ESTER INTERCHANGE; REACTING (METH)ALLYL ALCOHOL WITH SHOWA DENKO K.K. (JP) 2004-05-25 US disclosed
US-20030144460-A1 Process for producing alicyclic (meth)allyl ester monomer, alicyclic (meth)allyl ester compound, production process of the compound, plastic lens composition containing the compound, plastic lens obtained by curing the composition, and production process of the plastic lens SHOWA DENKO K.K. 2003-07-31 US disclosed
US-6545120-B1 Transesterification of a polyvalent alkyl ester of a polybasic acid having an alicyclic structure with an allyl alcohol and/or a methallyl alcohol; reacting product with a glycol to form polyester with allyl end groups SHOWA DENKO K.K. (JP) 2003-04-08 US disclosed
EP-0787749-B1 NOVEL ALLYL ETHERS, POLYMERS AND POLYMERIC SOLID ELECTROLYTES MITSUI CHEMICALS INC (JP) 2003-04-02 EP disclosed
US-20030055203-A1 Production of alicyclic (meth)allyl esters for plastic lens compositions SHOWA DENKO K.K. (JP) 2003-03-20 US disclosed
EP-1289924-A1 PRODUCTION OF ALICYCLIC (METH)ALLYL ESTERS FOR PLASTIC LENS COMPOSITIONS Showa Denko K.K. (JP) 2003-03-12 EP disclosed
WO-2001096274-A1 PRODUCTION OF ALICYCLIC (METH)ALLYL ESTERS FOR PLASTIC LENS COMPOSITIONS SHOWA DENKO K. K. (JP) 2001-12-20 WO disclosed
US-5977277-A Acrylic ester, novel allyl ether, novel allyl carbonate, acrylic ester polymer, allyl ether polymer, allyl carbonate polymer and polymeric solid electrolyte MITSUI PETROCHEMICAL INDUSTRIES, LTD (JP) 1999-11-02 US disclosed
EP-0787749-A1 NOVEL ACRYLATES, NOVEL ALLYL ETHERS, NOVEL ALLYL CARBONATES, ACRYLATE POLYMERS, ALLYL ETHER POLYMERS, ALLYL CARBONATE POLYMERS, AND SOLID POLYELECTROLYTES MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1997-08-06 EP disclosed
US-4450285-A CARBONYLATION OF UNSATURATED CARBONATE WITH CARBON MONOXIDE THE DOW CHEMICAL COMPANY (US) 1984-05-22 US disclosed