SCHEMBL2545895

SCHEMBL2545895

C=C(C)C(=O)OCCN[C]=S

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.47
TSHR P16473 3/20 0.46
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL163646 0.83 THRB (0.48) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL29096365 0.81 THRB (0.47) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL9321905 0.78 THRB (0.55) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL16378672 0.78 THRB (0.55) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL108325 0.76 THRB (0.53) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL14712313 0.76 THRB (0.53) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL13950019 0.76 THRB (0.53) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL16588235 0.76 THRB (0.53) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL16295843 0.76 THRB (0.48) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL3916030 0.75 THRB (0.68) THRBTSHRALDH1A1POLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004001414-A1 FLUORESCENT MAGNETIC NANOPARTICLES bioMérieux (FR) 2003-12-31 WO claimed
US-20230375537-A1 BASE MATERIAL FOR MANUFACTURING SENSOR FOR ANALYZING DETECTION OBJECT, SENSOR FOR ANALYZING DETECTION OBJECT, AND METHOD FOR ANALYZING DETECTION OBJECT NATIONAL UNIVERSITY CORPORATION KOBE UNIVERSITY (JP) 2023-11-23 US disclosed
US-20230203369-A1 RETROGRADE NEURONAL TRACERS DETECTABLE BY FLUORESCENCE AND OTHER IMAGING METHODS NORTHWESTERN UNIVERSITY (US) 2023-06-29 US disclosed
US-20230152306-A1 NANOPARTICLES FOR SENSING USE AND PRODUCTION METHOD FOR SAME TearExo Inc. (JP) 2023-05-18 US disclosed
WO-2017189585-A1 HAIR TREATMENT METHOD AND KIT THEREOF NOXELL CORPORATION (US) 2017-11-02 WO disclosed
CN-107072923-A Hair colouring layer, method and kit therefor 诺赛尔股份有限公司 2017-08-18 CN disclosed
CN-107072920-A Hair coloring layer, method and its external member 诺赛尔股份有限公司 2017-08-18 CN disclosed
US-20110263747-A1 MULTIFUNCTIONAL ENCODED PARTICLES FOR HIGH-THROUGHPUT ANALYSIS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2011-10-27 US disclosed
WO-2004001414-A1 FLUORESCENT MAGNETIC NANOPARTICLES bioMérieux (FR) 2003-12-31 WO disclosed