SCHEMBL16798908

SCHEMBL16798908

C=C(C)C(=O)OCCCCC[N+](C)(C)CCCC(=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.53
BBOX1 O75936 12/20 0.47
POLB P06746 1/20 0.42
APEX1 P27695 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
THRB P10828 1/20 0.39
RAD52 P43351 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPT P10636 1/20 0.32
BLM P54132 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
SCHEMBL16798940 1.00 TSHR (0.53) TSHRBBOX1POLBAPEX1HTT
SCHEMBL16799082 1.00 TSHR (0.53) TSHRBBOX1POLBAPEX1HTT
SCHEMBL16799408 1.00 TSHR (0.53) TSHRBBOX1POLBAPEX1HTT
SCHEMBL16798857 0.98 TSHR (0.50) TSHRBBOX1POLBAPEX1HTT
SCHEMBL16798877 0.94 TSHR (0.49) TSHRBBOX1POLBAPEX1HTT
SCHEMBL16798945 0.94 TSHR (0.49) TSHRBBOX1POLBAPEX1HTT
SCHEMBL16798858 0.94 TSHR (0.49) TSHRBBOX1POLBAPEX1HTT
SCHEMBL16799486 0.94 TSHR (0.49) TSHRBBOX1POLBAPEX1HTT
SCHEMBL16798885 0.94 TSHR (0.49) TSHRBBOX1POLBAPEX1HTT
SCHEMBL16799238 0.94 BBOX1 (0.50) TSHRBBOX1POLBAPEX1HTT

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
EP-3077476-B1 NANOCRYSTALS COMPLEXED WITH FUNCTIONALIZABLE ENHANCED AFFINITY LIGANDS AND USE THEREOF NEXDOT (FR) 2020-02-12 EP disclosed
US-10465030-B2 Nanoparticles complexed with functionalizable enhanced affinity ligands and use thereof NEXDOT (FR) 2019-11-05 US disclosed
US-20160304648-A1 NANOPARTICLES COMPLEXED WITH FUNCTIONALIZABLE ENHANCED AFFINITY LIGANDS AND USE THEREOF NEXDOT (FR) 2016-10-20 US disclosed
EP-3077476-A1 NANOPARTICLES COMPLEXED WITH FUNCTIONALIZABLE ENHANCED AFFINITY LIGANDS AND USE THEREOF Nexdot (FR) 2016-10-12 EP disclosed
WO-2015082656-A1 NANOPARTICLES COMPLEXED WITH FUNCTIONALIZABLE ENHANCED AFFINITY LIGANDS AND USE THEREOF NEXDOT (FR) 2015-06-11 WO disclosed