Sugi Predict

Sugi Predict / Compounds / Perflubutane

Perflubutane

Perflubutane

SCHEMBL5665288

CC(C)(C)c1ccccc1[I+]c1ccccc1C(C)(C)C.FC(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.39

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Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ CA2 P00918 1/20 0.35
▸ HSD11B1 P28845 1/20 0.34
▸ GABRA1 P14867 1/20 0.31
▸ GABRB2 P47870 1/20 0.31
▸ KIF11 P52732 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
SCHEMBL29851795 0.87 ALDH1A1 (0.48) ALDH1A1TSHRTDP1CA2GABRA1
SCHEMBL216497 0.87 ALDH1A1 (0.48) ALDH1A1TSHRTDP1CA2GABRA1
Iodide SCHEMBL2968442 0.85 ALDH1A1 (0.46) ALDH1A1TSHRTDP1CA2GABRA1
Hydrochloric Acid SCHEMBL6262076 0.85 ALDH1A1 (0.46) ALDH1A1TSHRTDP1CA2GABRA1
Water SCHEMBL107595 0.85 ALDH1A1 (0.46) ALDH1A1TSHRTDP1CA2GABRA1
SCHEMBL31651407 0.84 HSD11B1 (0.38) CA2HSD11B1
SCHEMBL545789 0.84 HSD11B1 (0.38) CA2HSD11B1
SCHEMBL29730022 0.83 ALDH1A1 (0.41) ALDH1A1TSHRTDP1CA2GABRA1
SCHEMBL9312855 0.83 ALDH1A1 (0.41) ALDH1A1TSHRTDP1CA2GABRA1
SCHEMBL2479441 0.83 CA2 (0.37) CA2HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546813-A4 LOW SILICON-OUTGASSING RESIST FOR BILAYER LITHOGRAPHY IBM (US) 2006-08-30 — — EP disclosed
EP-1546813-A1 LOW SILICON-OUTGASSING RESIST FOR BILAYER LITHOGRAPHY International Business Machines Corporation (US) 2005-06-29 — — EP disclosed
WO-2004068243-A1 LOW SILICON-OUTGASSING RESIST FOR BILAYER LITHOGRAPHY INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2004-08-12 — — WO disclosed