SCHEMBL23601634

SCHEMBL23601634

C=C(C)C(=O)OCCC(O)COc1c(I)cc(I)cc1I

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
POLB P06746 2/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
THRB P10828 1/20 0.35
MAP2K1 Q02750 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL8656427 0.88 TSHR (0.42) TSHRPOLBAPEX1HTTTDP1
SCHEMBL23601631 0.84 MAP2K1 (0.37) TSHRPOLBAPEX1HTTTDP1
SCHEMBL23601568 0.84 TSHR (0.36) TSHRPOLBAPEX1HTTTDP1
SCHEMBL10605454 0.82 THRB (0.45) TSHRPOLBAPEX1HTTTDP1
SCHEMBL23601563 0.81 POLB (0.47) TSHRPOLBAPEX1HTTTDP1
SCHEMBL23601571 0.78 ADRB2 (0.33) TSHRPOLBAPEX1HTTTDP1
SCHEMBL30952539 0.78 TSHR (0.41) TSHRPOLBAPEX1HTTTDP1
SCHEMBL3680977 0.75 TSHR (0.57) TSHRPOLBAPEX1HTTTDP1
SCHEMBL23573049 0.74 TSHR (0.40) TSHRPOLBAPEX1HTTTDP1
SCHEMBL23601570 0.74 ADRB2 (0.41) POLBAPEX1HTTTDP1

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