SCHEMBL4282945

SCHEMBL4282945

CC(=O)OCC(CCl)OC(C)=O

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.57
TDP1 Q9NUW8 1/20 0.48
PRKCA P17252 4/20 0.41
GAA P10253 1/20 0.38
LMNA P02545 2/20 0.37
TSHR P16473 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
HRH1 P35367 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33

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
Triacetin SCHEMBL19859036 0.87 AR (0.50) ARTDP1PRKCAGAALMNA
Triacetin SCHEMBL821340 0.86 TDP1 (0.56) ARTDP1PRKCAGAALMNA
Triacetin SCHEMBL3870 0.86 TDP1 (0.56) ARTDP1PRKCAGAALMNA
SCHEMBL8071764 0.84 AR (0.44) ARTDP1PRKCALMNATSHR
SCHEMBL6931051 0.84 PRKCA (0.47) ARTDP1PRKCALMNAALDH1A1
Triacetin SCHEMBL16446056 0.84 TDP1 (0.54) ARTDP1PRKCAGAALMNA
Triacetin SCHEMBL8012678 0.84 TDP1 (0.54) ARTDP1PRKCAGAALMNA
Triacetin SCHEMBL4367394 0.84 TDP1 (0.54) ARTDP1PRKCAGAALMNA
Triacetin SCHEMBL16445622 0.84 TDP1 (0.54) ARTDP1PRKCAGAALMNA
Triacetin SCHEMBL31035933 0.84 TDP1 (0.54) ARTDP1PRKCAGAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113740459-B Method for detecting epichlorohydrin in domestic drinking water 杭州普洛赛斯检测科技有限公司 2023-06-16 CN claimed
CN-116253660-A Synthesis method of iohexol 辽宁药联制药有限公司 2023-06-13 CN claimed
CN-113740459-B Method for detecting epichlorohydrin in domestic drinking water 杭州普洛赛斯检测科技有限公司 2023-06-16 CN disclosed
CN-116253660-A Synthesis method of iohexol 辽宁药联制药有限公司 2023-06-13 CN disclosed
CN-116253660-A Synthesis method of iohexol 辽宁药联制药有限公司 2023-06-13 CN disclosed
CN-101098843-B Method for producing chlorohydrins in liquid phase in the presence of heavy compounds SOLVAY 2012-04-11 CN disclosed
US-7615670-B2 Method for making chlorohydrin in liquid phase in the presence of heavy compounds Solvay (Société Anonyme) (BE) 2009-11-10 US disclosed
US-20080194884-A1 Method for Making Chlorohydrin in Liquid Phase in the Presence of Heavy Compounds SOLVAY (SOCIETE ANONYME) (BE) 2008-08-14 US disclosed
EP-1885673-A1 METHOD FOR MAKING CHLOROHYDRIN IN LIQUID PHASE IN THE PRESENCE OF HEAVY COMPOUNDS Solvay SA (BE) 2008-02-13 EP disclosed
CN-101098843-A Method for producing chlorohydrins in liquid phase in the presence of heavy compounds SOLVAY (BE) 2008-01-02 CN disclosed
WO-2006100316-A1 METHOD FOR MAKING CHLOROHYDRIN IN LIQUID PHASE IN THE PRESENCE OF HEAVY COMPOUNDS Solvay (Société Anonyme) (BE) 2006-09-28 WO disclosed
JP-2000287696-A PRODUCTION OF OPTICALLY ACTIVE 1-ACETOXY-3-HALOGENO-2- PROPANOL DAISO CO LTD 2000-10-17 JP disclosed
EP-0249610-B1 SYNTHESIS OF OPTICALLY ACTIVE ARYLOXYPROPANOLAMINES AND ARYLETHANOLAMINES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-08-25 EP disclosed
US-4584401-A AMIDATION,ACYLATION,ALLYLATION AND OXIDATION OF BENZAMIDES TO FORMTRIS-GLYCOLS BIOPHYSICA FOUNDATION (US) 1986-04-22 US disclosed
US-3963777-A MUSCLE RELAXANTS, SEDATIVES HOFFMANN-LA ROCHE INC. (US) 1976-06-15 US disclosed
US-3962438-A Anti-arthritic 1H-pyrimido-(5,4,3-kl)phenothiazine-1,3(2H)-diones and 1-thiones SMITHKLINE CORPORATION (US) 1976-06-08 US disclosed
US-3935203-A ANALGESICS, ANTI-OEDEMATOUS CERPHA (FR) 1976-01-27 US disclosed