SCHEMBL7787753

SCHEMBL7787753

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

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.34
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
S1PR4 O95977 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
S1PR1 P21453 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD11B1 P28845 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
SCHEMBL1087889 0.83 GPR3 (0.34) PTPN1CA1CA2CA5ACA9
Trifluoromethanesulfonic Acid SCHEMBL759937 0.80 PTPN1 (0.41) PTPN1TSHRSMN1; SMN2ALDH1A1HSD11B1
Sulfuric Acid SCHEMBL1458005 0.80 HSD11B1 (0.32) ALDH1A1MAPTHSD11B1
SCHEMBL1360857 0.78 CA2 (0.38) PTPN1CA1CA2
SCHEMBL358812 0.78 ALDH1A1 (0.36) TSHRALDH1A1
SCHEMBL7787757 0.77 PTPN1 (0.34) PTPN1TSHRSMN1; SMN2ALDH1A1CA1
SCHEMBL1089266 0.76 KCNH2 (0.32) PTPN1ALDH1A1LMNACA1CA2
SCHEMBL1088603 0.76 KCNH2 (0.32) PTPN1ALDH1A1LMNACA1CA2
SCHEMBL1088638 0.76 GPR3 (0.35) PTPN1SMN1; SMN2ALDH1A1MAPTCA1
SCHEMBL1088827 0.76 GPR3 (0.35) PTPN1SMN1; SMN2ALDH1A1MAPTCA1

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