SCHEMBL6396331

SCHEMBL6396331

O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA1 P00915 13/20 0.40
CA2 P00918 13/20 0.40
MMP1 P03956 5/20 0.40
MMP2 P08253 5/20 0.40
MMP9 P14780 5/20 0.40
MMP8 P22894 5/20 0.40
MMP13 P45452 5/20 0.40
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
HSD11B1 P28845 1/20 0.35
PTPN1 P18031 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
Biphenyl SCHEMBL1816739 0.82 PTPN1 (0.47) CA1CA2MMP1MMP2MMP9
Trifluoromethanesulfonic Acid SCHEMBL28873878 0.81 CYP3A4 (0.52) CYP3A4TDP1CA1CA2ESR1
Trifluoromethanesulfonic Acid SCHEMBL1673260 0.81 CYP3A4 (0.52) CYP3A4TDP1CA1CA2ESR1
Trifluoromethanesulfonic Acid SCHEMBL28873880 0.81 CYP3A4 (0.52) CYP3A4TDP1CA1CA2ESR1
Trifluoromethanesulfonic Acid SCHEMBL30238285 0.81 CYP3A4 (0.52) CYP3A4TDP1CA1CA2ESR1
SCHEMBL21518335 0.81 RORA (0.43) CYP3A4CA1CA2MMP1MMP2
Iodobenzene SCHEMBL5315922 0.81 CA2 (0.39) CA1CA2MMP1MMP2MMP9
SCHEMBL13836717 0.81 TSHR (0.57) CA1CA2MMP1MMP2MMP9
Benzenethiol SCHEMBL29745974 0.81 CA2 (0.39) CA1CA2MMP1MMP2MMP9
Trifluoromethanesulfonic Acid SCHEMBL31621707 0.80 CYP3A4 (0.50) CYP3A4TDP1CA1CA2ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6846895-B2 Polysiloxane, method of manufacturing same, silicon-containing alicyclic compound, and radiation-sensitive resin composition JSR CORPORATION (JP) 2005-01-25 US disclosed
EP-1142928-B1 Polysiloxane, method of manufacturing same, silicon-containing alicyclic compound, and radiation-sensitive resin compounds JSR CORP (JP) 2004-02-18 EP disclosed
US-20030191268-A1 Polysiloxane, method of manufacturing same, silicon-containing alicyclic compound, and radiation-sensitive resin composition IWASAWA HARUO (JP) 2003-10-09 US disclosed
US-6531260-B2 Photoresist JSR CORPORATION (JP) 2003-03-11 US disclosed
US-20010041769-A1 Polysiloxane, method of manufacturing same, silicon-containingalicyclic compouns, and radiation-sensitive resin composition JSR CORPORATION (JP) 2001-11-15 US disclosed
EP-1142928-A1 Polysiloxane, method of manufacturing same, silicon-containing alicyclic compound, and radiation-sensitive resin compounds JSR Corporation (JP) 2001-10-10 EP disclosed