SCHEMBL10588938

SCHEMBL10588938

CCCCO[I+](OC(=O)C(F)(F)F)(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ RECQL P46063 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ SCN1A P35498 1/20 0.35
▸ SCN2A Q99250 1/20 0.35
▸ SCN3A Q9NY46 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35

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
SCHEMBL3518888 0.77 KCNN4 (0.38) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL17993796 0.66 TSHR (0.51) TSHRTDP1L3MBTL1PTGDR2CYP3A4
Iodobenzene SCHEMBL8059216 0.66 FAAH (0.48) TSHRTP53
SCHEMBL7584607 0.65 LTA4H (0.45) TSHRTP53
SCHEMBL196154 0.64 ALDH1A1 (0.54) TSHRTDP1L3MBTL1ALDH1A1HSD17B10
Trifluoroacetic Acid SCHEMBL10588931 0.64 TSHR (0.41) TSHRTDP1L3MBTL1PTGDR2CYP3A4
SCHEMBL11765643 0.63 KIF11 (0.46) TDP1L3MBTL1GAA
SCHEMBL31429063 0.63 KIF11 (0.46) TSHRTDP1L3MBTL1ALDH1A1GAA
SCHEMBL14943951 0.63 TSHR (0.47) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL14140686 0.63 MAPK1 (0.49) TSHRTDP1L3MBTL1CYP3A4MAPK1

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
EP-0326434-A2 Imaging method and apparatus MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1989-08-02 — — EP disclosed
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