SCHEMBL4355629

SCHEMBL4355629

C=C(C)C(=O)OC.C=C(C)C(=O)OCCCC.CC(=CCCN(C)C)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.47
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
THRB P10828 1/20 0.35
HPGD P15428 1/20 0.33
DNM1 Q05193 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
ATM Q13315 1/20 0.32
GLA P06280 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LSS P48449 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL5038139 0.95 TSHR (0.51) TSHRALDH1A1TDP1POLBAPEX1
SCHEMBL4162825 0.95 TSHR (0.51) TSHRALDH1A1TDP1POLBAPEX1
Methacrylic Acid SCHEMBL5015842 0.94 TSHR (0.50) TSHRALDH1A1TDP1POLBAPEX1
Hydrochloric Acid SCHEMBL11323572 0.94 TSHR (0.50) TSHRALDH1A1TDP1POLBAPEX1
SCHEMBL3185598 0.92 TSHR (0.48) TSHRALDH1A1TDP1POLBAPEX1
SCHEMBL1403009 0.87 ALDH1A1 (0.47) TSHRALDH1A1CYP2D6CYP2C19
SCHEMBL6664042 0.85 TSHR (0.48) TSHRALDH1A1TDP1POLBAPEX1
SCHEMBL4165361 0.85 TSHR (0.48) TSHRALDH1A1TDP1POLBAPEX1
Methacrylic Acid SCHEMBL2580360 0.85 TSHR (0.54) TSHRALDH1A1TDP1POLBAPEX1
SCHEMBL29664602 0.85 THRB (0.39) TSHRALDH1A1TDP1POLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090285891-A1 Pharmaceutical preparation for oral administration with controlled active ingredient release in the small intestine and method for its production DR. R. PFLEGER CHEMISCHE FABRIK GMBH (DE) 2009-11-19 US claimed
US-8221787-B2 Pharmaceutical preparation for oral administration with controlled active ingredient release in the small intestine and method for its production Dr. Robert Pfleger Chemische Fabrik GmbH (DE) 2012-07-17 US disclosed
US-20090285891-A1 Pharmaceutical preparation for oral administration with controlled active ingredient release in the small intestine and method for its production DR. R. PFLEGER CHEMISCHE FABRIK GMBH (DE) 2009-11-19 US disclosed
CN-1330305-C Highly flexible transdermal therapeutic system having nicotine as active substance LOHMANN THERAPIE SYST LTS (DE) 2007-08-08 CN disclosed
CN-1494421-A High-flexibility transdermal therapeutic system comprising nicotine as active ingredient LTS��������ϵͳ�ɷݹ�˾ 2004-05-05 CN disclosed