SCHEMBL6569213

SCHEMBL6569213

CC(C)(C)CCCCCCCCC(=O)Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
TSHR P16473 3/20 0.56
TP53 P04637 1/20 0.48
FFAR1 O14842 1/20 0.38
CPT2 P23786 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ACLY P53396 1/20 0.33
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32
CES1 P23141 7/20 0.32
CES2 O00748 4/20 0.32
LMNA P02545 1/20 0.32
NFKB1 P19838 1/20 0.32
PMP22 Q01453 1/20 0.32
TBXAS1 P24557 1/20 0.32
FAAH O00519 5/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL81402 1.00 ALDH1A1 (0.56) ALDH1A1TSHRTP53FFAR1CPT2
SCHEMBL28668441 0.98 ALDH1A1 (0.52) ALDH1A1TSHRTP53FFAR1CPT2
SCHEMBL11233862 0.90 ALDH1A1 (0.52) ALDH1A1TSHRTP53FFAR1CPT2
SCHEMBL15457430 0.80 KMT2A (0.44) ALDH1A1TSHRFFAR1CPT2TDP1
SCHEMBL2180506 0.79
SCHEMBL466419 0.79 TSHR (0.72) ALDH1A1TSHRTP53FFAR1TDP1
SCHEMBL496221 0.79 TSHR (0.72) ALDH1A1TSHRTP53FFAR1TDP1
SCHEMBL6057206 0.79 TSHR (0.72) ALDH1A1TSHRTP53FFAR1TDP1
SCHEMBL494288 0.79 TSHR (0.72) ALDH1A1TSHRTP53FFAR1TDP1
SCHEMBL495310 0.79 TSHR (0.72) ALDH1A1TSHRTP53FFAR1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0478214-B2 Novel peroxy ester, and polymerization initiator and curing agent using the ester NIPPON OILS & FATS CO LTD (JP) 2004-04-14 EP disclosed
EP-0850927-B1 Novel oxalic acid peroxide compositions and their uses ATOFINA CHEM INC (US) 2001-03-14 EP disclosed
EP-0717035-B1 1,1,2,2-Tetramethylpropylperoxy esters and methods for preparing vinyl polymers SHINETSU CHEMICAL CO (JP) 1999-04-14 EP disclosed
US-5866712-A POLYMERIZATION AND CURING CATALYSTS ELF ATOCHEM NORTH AMERICA, INC. (US) 1999-02-02 US disclosed
US-5783647-A POLYMERIZATION CATALYST FOR VINYL CHLORIDE POLYMERS, SHORTER REACTION TIMES, IMPROVED COLOR AND LESS ODOR WHEN MOLDED SHIN-ETSU CHEMICAL CO., LTD. (JP) 1998-07-21 US disclosed
EP-0850927-A1 Novel oxalic acid peroxide compositions and uses ELF ATOCHEM NORTH AMERICA, INC. (US) 1998-07-01 EP disclosed
US-5728857-A POLYMERIZATION CATALYSTS FOR PRODUCING POLYVINYL CHLORIDE HAVING A HIGH QUALITY IN A HIGH YIELD AND IN A SHORT TIME SHIN-ETSU CHEMICAL CO., LTD. (JP) 1998-03-17 US disclosed
EP-0717035-A1 1,1,2,2-Tetramethylpropylperoxy esters and methods for preparing vinyl polymers SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-06-19 EP disclosed
US-5434189-A Effective against cockroaches, nontoxic COLGATE-PALMOLIVE CO. (US) 1995-07-18 US disclosed
US-5434189-A Effective against cockroaches, nontoxic COLGATE-PALMOLIVE CO. (US) 1995-07-18 US disclosed
US-5117047-A Addition Polymerization Catalysts, Unsaturated Polyester Curing Agents NIPPON OIL & FATS COMPANY LIMITED (JP) 1992-05-26 US disclosed
EP-0478214-A2 Novel peroxy ester, and polymerization initiator and curing agent using the ester NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1992-04-01 EP disclosed
US-5075495-A Polymerization initiator for vinyl chloride NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1991-12-24 US disclosed
US-5015665-A Amides as insect repellants safe to humans and animals COLGATE-PALMOLIVE CO. (US) 1991-05-14 US disclosed
US-5015665-A Amides as insect repellants safe to humans and animals COLGATE-PALMOLIVE CO. (US) 1991-05-14 US disclosed
EP-0404550-A2 1-Phenylcyclohexylperoxy neoalkanoates and use thereof NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1990-12-27 EP disclosed
US-4804683-A REPELLING COCKROACHES COLGATE-PALMOLIVE COMPANY (US) 1989-02-14 US disclosed
US-4804683-A REPELLING COCKROACHES COLGATE-PALMOLIVE COMPANY (US) 1989-02-14 US disclosed
US-4129704-A Polymerization of vinyl monomers employing a diperoxyester mixture composition prepared by reacting dihydroperoxide and peroxyester forming carbonyl compounds PENNWALT CORPORATION (US) 1978-12-12 US disclosed
US-4097408-A FROM DIHYDOPEROXIDE AND CARBONYL COMPOUND, POLYMERIZATION CATALYSTS PENNWALT CORPORATION (US) 1978-06-27 US disclosed