SCHEMBL5282399

SCHEMBL5282399

C=CC(=O)OCCCCCCCC.C=COC(C)=O

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.66
HPGD P15428 1/20 0.66
ALDH1A1 P00352 4/20 0.61
CYP3A4 P08684 1/20 0.61
HCAR2 Q8TDS4 3/20 0.50
ATM Q13315 1/20 0.46
NAAA Q02083 1/20 0.44
TP53 P04637 2/20 0.43
HIF1A Q16665 2/20 0.43
HSD17B10 Q99714 1/20 0.43
EPHX1 P07099 1/20 0.42
THRB P10828 1/20 0.41
CES2 O00748 1/20 0.40

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
SCHEMBL8356892 0.93 TSHR (0.76) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL664120 0.93 TSHR (0.76) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL10823313 0.93 TSHR (0.76) TSHRHPGDALDH1A1CYP3A4HCAR2
Methacrylic Acid SCHEMBL4578194 0.93 TSHR (0.57) TSHRHPGDALDH1A1CYP3A4HCAR2
Ethylene SCHEMBL1412721 0.92 TSHR (0.73) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL4578511 0.92 TSHR (0.65) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL8601583 0.90 HCAR2 (0.63) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL8526243 0.90 HCAR2 (0.63) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL8601584 0.90 HCAR2 (0.63) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL9508429 0.90 HCAR2 (0.63) TSHRHPGDALDH1A1CYP3A4HCAR2

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 13 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
US-20050013790-A1 External skin care composition KAO CORPORATION (JP) 2005-01-20 US claimed
CN-105273722-A Sand solidification method CHINA PETROCHEMICAL CORP 2016-01-27 CN 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
US-5856048-A PROTECTED AGAINST FORGERY AND HAS ENHANCED SECURITY AGAINST SOME IMPROPER USE DAI NIPPON PRINTING CO., LTD. (JP) 1999-01-05 US disclosed