SCHEMBL23601568

SCHEMBL23601568

C=C(C)C(=O)OCCC(O)COC(=O)c1c(I)cc(I)cc1I

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
THRB P10828 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL23601640 0.90 TSHR (0.42) TSHRTHRBCNR1CNR2
SCHEMBL23601571 0.84 ADRB2 (0.33) TSHRTHRBPOLBAPEX1HTT
SCHEMBL10725906 0.84 THRB (0.45) TSHRTHRBPOLBAPEX1HTT
SCHEMBL23601634 0.84 TSHR (0.36) TSHRTHRBPOLBAPEX1HTT
SCHEMBL23601639 0.81 TSHR (0.45) TSHRTHRBPOLBAPEX1HTT
SCHEMBL23601570 0.81 ADRB2 (0.41) POLBAPEX1HTTTDP1
SCHEMBL27383300 0.79 ADRB2 (0.46) POLBAPEX1HTTTDP1
SCHEMBL23601631 0.78 MAP2K1 (0.37) TSHRTHRBPOLBAPEX1HTT
SCHEMBL3680977 0.78 TSHR (0.57) TSHRTHRBPOLBAPEX1HTT
SCHEMBL647275 0.76 TSHR (0.50) TSHRTDP1

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
US-20210200093-A1 COATING COMPOSITION FOR PHOTORESIST UNDERLAYER DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2021-07-01 US disclosed