SCHEMBL23601640

SCHEMBL23601640

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

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
THRB P10828 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
ADRB2 P07550 6/20 0.31
ADRB1 P08588 6/20 0.31
ADRB3 P13945 6/20 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
SCHEMBL23601568 0.90 TSHR (0.36) TSHRTHRBCNR1CNR2
SCHEMBL7793715 0.85 TSHR (0.40) TSHRADRB2ADRB1ADRB3
SCHEMBL8656427 0.83 TSHR (0.42) TSHRTHRB
SCHEMBL10725906 0.82 THRB (0.45) TSHRTHRB
SCHEMBL23573049 0.80 TSHR (0.40) TSHR
SCHEMBL23601639 0.80 TSHR (0.45) TSHRTHRB
SCHEMBL23601564 0.79 ADRB2 (0.45) TSHRADRB2ADRB1ADRB3
SCHEMBL23601566 0.77 TSHR (0.40) TSHR
SCHEMBL19316665 0.77 TSHR (0.45) TSHRADRB2ADRB1ADRB3
SCHEMBL27245313 0.77 TSHR (0.47) TSHRTHRBADRB2ADRB1ADRB3

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