SCHEMBL7787757

SCHEMBL7787757

O=S(=O)(O)C(F)(F)C(F)C(F)(F)F.c1ccc([S+](c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.34
TSHR P16473 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA5A P35218 1/20 0.31
CA9 Q16790 1/20 0.31
SRC P12931 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
SCHEMBL7708207 0.83 GPR3 (0.34) PTPN1CA1CA2CA5ACA9
Trifluoromethanesulfonic Acid SCHEMBL759937 0.80 PTPN1 (0.41) PTPN1TSHRSMN1; SMN2ALDH1A1CA1
SCHEMBL356425 0.78 ALDH1A1 (0.36) TSHRALDH1A1
SCHEMBL7787753 0.77 PTPN1 (0.34) PTPN1TSHRSMN1; SMN2ALDH1A1CA1
SCHEMBL7702718 0.76 GPR3 (0.35) SMN1; SMN2ALDH1A1CA1CA2CA5A
SCHEMBL7708749 0.76 GPR3 (0.35) SMN1; SMN2ALDH1A1CA1CA2CA5A
SCHEMBL9055082 0.75 ALDH1A1 (0.35) ALDH1A1
SCHEMBL357234 0.75 ALDH1A1 (0.35) ALDH1A1
Iodide SCHEMBL7702837 0.75 ALDH1A1 (0.35) ALDH1A1
SCHEMBL1735908 0.75 ALDH1A1 (0.35) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0735422-B1 Radiation-sensitive composition containing plasticizer CLARIANT FINANCE BVI LTD (VG) 2001-11-14 EP disclosed
EP-0735422-A1 Radiation-sensitive composition containing plasticizer HOECHST INDUSTRY LIMITED (JP) 1996-10-02 EP disclosed