SCHEMBL22698176

SCHEMBL22698176

C=C(C)C(=O)OCCOC(=O)C(=O)OCCCOC=O

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.53
THRB P10828 1/20 0.50
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 4/20 0.36
HPGD P15428 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL4087312 0.96 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL19884699 0.93 TSHR (0.61) TSHRTHRBPOLBAPEX1HTT
SCHEMBL23378084 0.91 TSHR (0.65) TSHRTHRBPOLBAPEX1HTT
SCHEMBL164047 0.89 THRB (0.57) TSHRTHRBPOLBAPEX1HTT
Ammonia Solution, Strong SCHEMBL28190576 0.87 THRB (0.55) TSHRTHRBPOLBAPEX1HTT
SCHEMBL28189930 0.87 THRB (0.55) TSHRTHRBPOLBAPEX1HTT
SCHEMBL18101451 0.87 TSHR (0.67) TSHRTHRBPOLBAPEX1HTT
SCHEMBL9162964 0.84 TSHR (0.69) TSHRTHRBPOLBAPEX1HTT
SCHEMBL11600594 0.84 TSHR (0.69) TSHRTHRBPOLBAPEX1HTT
SCHEMBL12348212 0.84 THRB (0.61) TSHRTHRBPOLBAPEX1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020237218-A1 PARTICLES MICRO VENTION, INC. (US) 2020-11-26 WO disclosed