SCHEMBL5826458

SCHEMBL5826458

CC(C)(C)c1ccccc1I.O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 14/20 0.38
CA1 P00915 13/20 0.38
HSD11B1 P28845 3/20 0.38
MMP1 P03956 4/20 0.33
MMP2 P08253 4/20 0.33
MMP9 P14780 4/20 0.33
MMP8 P22894 4/20 0.33
MMP13 P45452 4/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
F2 P00734 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31

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
SCHEMBL28681870 1.00 CA2 (0.38) CA2CA1HSD11B1MMP1MMP2
SCHEMBL5826443 0.99 HSD11B1 (0.39) CA2CA1HSD11B1MMP1MMP2
SCHEMBL3999825 0.88 CA2 (0.34) CA2CA1HSD11B1MMP1MMP2
SCHEMBL379587 0.86 HSD11B1 (0.34) CA2CA1HSD11B1MMP1MMP2
SCHEMBL27611791 0.84 ALDH1A1 (0.39) CA2CA1HSD11B1ALDH1A1TSHR
Trifluoromethanesulfonic Acid SCHEMBL2483807 0.83 TSHR (0.44) CA2CA1HSD11B1ALDH1A1TSHR
Trifluoromethanesulfonic Acid SCHEMBL7535106 0.83 TSHR (0.44) CA2CA1HSD11B1ALDH1A1TSHR
SCHEMBL2058614 0.79 F2 (0.35) CA2CA1MMP1MMP2MMP9
Trifluoromethanesulfonic Acid SCHEMBL3029629 0.78 CA1 (0.36) CA2CA1
Trifluoromethanesulfonic Acid SCHEMBL10504940 0.78 CA1 (0.36) CA2CA1

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-7153630-B2 Resist with reduced line edge roughness MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2006-12-26 US claimed
US-20060078820-A1 Resist with reduced line edge roughness MASS INSTITUTE OF TECHNOLOGY (MIT) (US) 2006-04-13 US claimed
US-20030036015-A1 Resist with reduced line edge roughness AIR FORCE, UNITED STATES 2003-02-20 US claimed
WO-2002091084-A2 RESIST WITH REDUCED LINE EDGE ROUGHNESS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2002-11-14 WO claimed
EP-1550003-A1 193NM RESIST International Business Machines Corporation (US) 2005-07-06 EP disclosed
WO-2004029719-A1 193NM RESIST INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2004-04-08 WO disclosed