SCHEMBL13772011

SCHEMBL13772011

CC(CC(O)(C(F)(F)F)C(F)(F)F)OC(C)(C)C1CC2C=CC1C2

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL2977780 0.74 ALDH1A1 (0.45) ALDH1A1TDP1
SCHEMBL12732772 0.72 KDM4E (0.32) ALDH1A1
SCHEMBL5845085 0.69
SCHEMBL119840 0.69 ALDH1A1 (0.39) USP2ALDH1A1TDP1
SCHEMBL10049061 0.68
SCHEMBL6506156 0.66
SCHEMBL7101234 0.65 ALDH1A1 (0.37) USP2ALDH1A1TDP1
SCHEMBL75227 0.65 ALDH1A1 (0.35) USP2ALDH1A1TDP1
SCHEMBL18714194 0.65 ALDH1A1 (0.35) USP2ALDH1A1TDP1
SCHEMBL13324798 0.65 ALDH1A1 (0.35) USP2ALDH1A1TDP1

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-7563558-B2 Negative resists based on acid-catalyzed elimination of polar molecules INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2009-07-21 US disclosed
US-20080233517-A1 Negative Resists Based on Acid-Catalyzed Elimination of Polar Molecules INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2008-09-25 US disclosed
US-7393624-B2 Negative resists based on acid-catalyzed elimination of polar molecules INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2008-07-01 US disclosed
US-7300739-B2 Negative resists based on a acid-catalyzed elimination of polar molecules INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2007-11-27 US disclosed
US-20070259274-A1 Negative resists based on acid-catalyzed elimination of polar molecules INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2007-11-08 US disclosed
US-20070026339-A1 NEGATIVE RESISTS BASED ON A ACID-CATALYZED ELIMINATION OF POLAR MOLECULES GLOBALFOUNDRIES U.S. INC. 2007-02-01 US disclosed