SCHEMBL7708128

SCHEMBL7708128

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

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.34
PTPN1 P18031 1/20 0.34
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA5A P35218 1/20 0.31
CA9 Q16790 1/20 0.31
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 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
SCHEMBL7708455 0.91 GPR3 (0.35) GPR3CA1CA2CA5ACA9
SCHEMBL7708628 0.89 HSD11B1 (0.38)
Toliodium SCHEMBL7708774 0.84 AGER (0.36) GPR3CA1CA2CA5ACA9
SCHEMBL7705618 0.81 ALDH1A1 (0.38) CA1CA2CA9LMNAHPGD
SCHEMBL7708207 0.80 GPR3 (0.34) GPR3PTPN1CA1CA2CA5A
Trifluoromethanesulfonic Acid SCHEMBL36177 0.80 GPR3 (0.50) GPR3PTPN1CA1CA2CA5A
SCHEMBL7708731 0.78 ALDH1A1 (0.35)
SCHEMBL8081792 0.78 PTPN1 (0.33) GPR3PTPN1
SCHEMBL7702881 0.77 LMNA (0.40) LMNAHPGDHTT
SCHEMBL1088652 0.77 GPR3 (0.34) GPR3PTPN1CA1CA2CA5A

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
US-6358665-B1 ONIUM SALT PRECURSOR FOR GENERATING FLUOROALKYLSULFONATE CLARIANT INTERNATIONAL LTD. (CH) 2002-03-19 US disclosed
EP-1033624-A1 RADIATION-SENSITIVE COMPOSITION OF CHEMICAL AMPLIFICATION TYPE Clariant International Ltd. (CH) 2000-09-06 EP disclosed