SCHEMBL5282073

SCHEMBL5282073

C=CC(=O)OC(C)OC.C=CC(=O)OCCO

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.63
HPGD P15428 1/20 0.44
ALDH1A1 P00352 4/20 0.44
TP53 P04637 3/20 0.44
HIF1A Q16665 3/20 0.44
CYP3A4 P08684 2/20 0.44
HSD17B10 Q99714 1/20 0.44
THRB P10828 2/20 0.38
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL5290988 0.91 TSHR (0.61) TSHRHPGDALDH1A1TP53HIF1A
Ethylene Glycol SCHEMBL9110616 0.88 TSHR (0.44) TSHRHPGDALDH1A1TP53HIF1A
Alcohol SCHEMBL28701214 0.84 TSHR (0.44) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL10904537 0.84 TSHR (0.69) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL43665 0.84
SCHEMBL8416540 0.83 TSHR (0.42) TSHRALDH1A1
SCHEMBL27604719 0.83 TSHR (0.68) TSHRHPGDALDH1A1TP53HIF1A
Methoxymethane SCHEMBL863787 0.82 TSHR (0.86) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28115137 0.80 TSHR (0.46) TSHRHPGDALDH1A1TP53HIF1A
Methyl Alcohol SCHEMBL28276837 0.80 TSHR (0.91) TSHRHPGDALDH1A1TP53HIF1A

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
US-20070044810-A1 Method of enhanced drug application JR CHEM, LLC 2007-03-01 US claimed
WO-2007005469-A2 METHOD OF ENHANCED BENZOYL PEROXIDE APPLICATION JR CHEM, LLC (US) 2007-01-11 WO claimed
US-20070003504-A1 Method of enhanced benzoyl peroxide application JR CHEM, LLC 2007-01-04 US claimed
WO-2007002880-A2 METHOD OF ENHANCED DRUG APPLICATION JR CHEM, LLC (US) 2007-01-04 WO claimed
US-20050013790-A1 External skin care composition KAO CORPORATION (JP) 2005-01-20 US claimed
CN-110191698-A Aerosol spray hair styling composition and aerosol spray hair styling agent 株式会社漫丹 2019-08-30 CN disclosed
CN-108024943-A Hair styling composition 株式会社漫丹 2018-05-11 CN disclosed
CN-103179949-B Cosmetic composition, hair cosmetic and therapeutic cosmetic for hair MITSUBISHI CHEMICAL CORP. (JP) 2016-03-16 CN disclosed
US-20130236411-A1 COSMETIC COMPOSITION, HAIR COSMETIC AND HAIR TREATMENT COSMETIC MITSUBISHI CHEMICAL CORPORATION (JP) 2013-09-12 US disclosed
EP-2630949-A1 COSMETIC COMPOSITION, HAIR COSMETIC, AND HAIR TREATMENT COSMETIC Mitsubishi Chemical Corporation (JP) 2013-08-28 EP disclosed
US-20070044810-A1 Method of enhanced drug application JR CHEM, LLC 2007-03-01 US disclosed
WO-2007005469-A2 METHOD OF ENHANCED BENZOYL PEROXIDE APPLICATION JR CHEM, LLC (US) 2007-01-11 WO disclosed
US-20070003504-A1 Method of enhanced benzoyl peroxide application JR CHEM, LLC 2007-01-04 US disclosed
WO-2007002880-A2 METHOD OF ENHANCED DRUG APPLICATION JR CHEM, LLC (US) 2007-01-04 WO disclosed
US-6878378-B1 External skin care composition KAO CORPORATION (JP) 2005-04-12 US disclosed
US-20050013790-A1 External skin care composition KAO CORPORATION (JP) 2005-01-20 US disclosed
EP-1051965-A2 External skin care composition Kao Corporation (JP) 2000-11-15 EP disclosed