SCHEMBL9706552

SCHEMBL9706552

CC(=O)CC(=O)C(C(C)C)C(C)C.CC(=O)CC(C)=O.O=[Ti](O)O

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31

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
SCHEMBL6047740 0.89 ALDH1A1 (0.39) ALDH1A1TDP1MGAMGAASI
SCHEMBL5998622 0.78 MGAM (0.45) ALDH1A1TDP1MGAMGAASI
SCHEMBL7581768 0.78 MGAM (0.45) ALDH1A1TDP1MGAMGAASI
SCHEMBL25284521 0.75 MMP1 (0.33) ALDH1A1TDP1
SCHEMBL194928 0.74 MGAM (0.32) MGAMGAASIMGAM2
SCHEMBL29013922 0.69 LDHA (0.42) ALDH1A1TDP1
SCHEMBL182005 0.68
Isopropyl Alcohol SCHEMBL8457735 0.67 ALDH1A1 (0.47) ALDH1A1TDP1MGAMGAASI
SCHEMBL1608 0.66
SCHEMBL10389469 0.66 MGAM (0.56) ALDH1A1TDP1MGAMGAASI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9090557-B2 Method for producing di(2-ethylyhexyl) terephthalate CHANG CHUN PLASTICS CO., LTD. (TW) 2015-07-28 US disclosed
US-20140288325-A1 METHOD FOR PRODUCING DI(2-ETHYLYHEXYL) TEREPHTHALATE CHANG CHUN PLASTICS CO., LTD (TW) 2014-09-25 US disclosed
EP-2781502-A1 Method for producing di(2-ethylhexyl) terephthalate Chang Chun Plastics Co., Ltd. (TW) 2014-09-24 EP disclosed
EP-0506113-A2 Antimicrobial silicone composition Dow Corning Toray Silicone Company, Limited (JP) 1992-09-30 EP disclosed
EP-0055606-B1 AMINO-FUNCTIONAL SILICONE EMULSIONS Toray Silicone Company Limited (JP) 1985-03-20 EP disclosed
US-4388437-A CREASE RESISTANCE, SOFTNESS, RESILIENCE, AND WATER REPELLENCY TO FIBERS TORAY SILICONE COMPANY, LTD. (JP) 1983-06-14 US disclosed
EP-0055606-A1 Amino-functional silicone emulsions Toray Silicone Company Limited (JP) 1982-07-07 EP disclosed
US-4100076-A FLAME RETARDANTS THE HARSHAW CHEMICAL COMPANY (US) 1978-07-11 US disclosed