SCHEMBL16799238

SCHEMBL16799238

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

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 12/20 0.50
TSHR P16473 3/20 0.47
THRB P10828 1/20 0.41
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 1/20 0.33
BLM P54132 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL16798857 0.95 TSHR (0.50) BBOX1TSHRTHRBPOLBAPEX1
SCHEMBL16798956 0.95 TSHR (0.46) BBOX1TSHRTHRBPOLBAPEX1
SCHEMBL16799082 0.94 TSHR (0.53) BBOX1TSHRTHRBPOLBAPEX1
SCHEMBL16799408 0.94 TSHR (0.53) BBOX1TSHRTHRBPOLBAPEX1
SCHEMBL16798908 0.94 TSHR (0.53) BBOX1TSHRTHRBPOLBAPEX1
SCHEMBL16798940 0.94 TSHR (0.53) BBOX1TSHRTHRBPOLBAPEX1
SCHEMBL16799486 0.94 TSHR (0.49) BBOX1TSHRTHRBPOLBAPEX1
SCHEMBL16798858 0.94 TSHR (0.49) BBOX1TSHRTHRBPOLBAPEX1
SCHEMBL16798885 0.94 TSHR (0.49) BBOX1TSHRTHRBPOLBAPEX1
SCHEMBL16798945 0.94 TSHR (0.49) BBOX1TSHRTHRBPOLBAPEX1

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