SCHEMBL175822

SCHEMBL175822

CC(C)(C)c1ccc([I+]c2ccc(C(C)(C)C)cc2)cc1.Cc1ccccc1S(=O)(=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.43
ALDH1A1 P00352 7/20 0.40
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
ACHE P22303 1/20 0.37
LMNA P02545 2/20 0.37
HSD17B3 P37058 1/20 0.36
UQCRB P14927 1/20 0.36
HSD17B2 P37059 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 1/20 0.35
MCL1 Q07820 1/20 0.35
TSHR P16473 1/20 0.34
USP2 O75604 1/20 0.34
ALOX15 P16050 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL1270991 0.85 ALDH1A1 (0.37) HSD11B1ALDH1A1LMNAKDM4EHTT
SCHEMBL2966140 0.83 HSD11B1 (0.43) HSD11B1ALDH1A1CA1CA2ACHE
SCHEMBL7733600 0.82 HSD17B2 (0.44) HSD11B1ALDH1A1LMNAHSD17B2MAPT
Sulfuric Acid SCHEMBL5068665 0.81 ALDH1A1 (0.52) HSD11B1ALDH1A1CA1CA2ACHE
SCHEMBL452774 0.81 ALDH1A1 (0.46) HSD11B1ALDH1A1CA1CA2ACHE
SCHEMBL647378 0.81 NLRP3 (0.44) HSD11B1ALDH1A1CA1CA2ACHE
SCHEMBL31210331 0.81 HSD11B1 (0.47) HSD11B1ALDH1A1CA1CA2
SCHEMBL453146 0.81 HSD11B1 (0.47) HSD11B1ALDH1A1CA1CA2
Trifluoromethanesulfonic Acid SCHEMBL3161572 0.80 HSD11B1 (0.40) HSD11B1ALDH1A1LMNAHTTMCL1
SCHEMBL8131241 0.80 ALDH1A1 (0.52) HSD11B1ALDH1A1CA1CA2ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023278649-A1 STABILIZED UV ACTIVE ORGANOPALLADIUM COMPOUNDS AS VINYL ADDITION CATALYSTS PROMERUS, LLC (US) 2023-01-05 WO disclosed
EP-2271657-B1 GEL MICRODROP COMPOSITION AND METHOD OF USING THE SAME CRYSTAL BIOSCIENCE INC (US) 2017-03-01 EP disclosed
US-8415173-B2 Gel microdrop composition and method of using the same CRYSTAL BIOSCIENCE INC. (US) 2013-04-09 US disclosed
US-20120077714-A1 Mass Spectrometry Based Particle Separation NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-03-29 US disclosed
US-20120058903-A1 Gel Microdrop Composition and Method of Using the Same CRYSTAL BIOSCIENCE INC. 2012-03-08 US disclosed
US-8030095-B2 Gel microdrop composition and method of using the same CRYSTAL BIOSCIENCE INC. (US) 2011-10-04 US disclosed
EP-2271657-A2 GEL MICRODROP COMPOSITION AND METHOD OF USING THE SAME Crystal Bioscience Inc. (US) 2011-01-12 EP disclosed
US-20100092955-A1 GEL MICRODROP COMPOSITION AND METHOD OF USING THE SAME CRYSTAL BIOSCIENCE INC. 2010-04-15 US disclosed
US-7588806-B2 Homeotropically aligned liquid crystal film and process for producing the same CHISSO CORPORATION (JP) 2009-09-15 US disclosed
WO-2009111014-A2 GEL MICRODROP COMPOSITION AND METHOD OF USING THE SAME CRYSTAL BIOSCIENCE INC. (US) 2009-09-11 WO disclosed
US-7119031-B2 Methods of forming patterned photoresist layers over semiconductor substrates MICRON TECHNOLOGY, INC. (US) 2006-10-10 US disclosed
EP-1674855-A2 Addressable recovery of bound analytes from an evanescent wave sensor AGILENT TECHNOLOGIES, INC. (A Delaware Corporation) (US) 2006-06-28 EP disclosed
US-20060128031-A1 Addressable recovery of bound analytes from an evanescent wave sensor AGILENT TECHNOLOGIES, INC. 2006-06-15 US disclosed
US-20050287816-A1 Methods of forming patterned photoresist layers over semiconductor substrates MICRON TECHNOLOGY, INC. 2005-12-29 US disclosed
US-5587224-A COATING COMPRISES PHOTOLYSIS REACTION PRODUCT OF CHARGE TRANSPORTING POLYMER AND PHOTO ACID COMPOUND XEROX CORPORATION (US) 1996-12-24 US disclosed
US-5565287-A DEPOSITING MARKING PARTICLES WHICH CONSIST OF THERMOPLASTIC BINDER AND ACID PHOTOGENERATOR, NEAR-INFRARED RADIATION ABSORBING DYE OR PIGMENT ON A THERMOPLASTIC IMAGING SURFACE, CREATING ELECTROSTATIC ATTRACTION, AND EXPOSING EASTMAN KODAK COMPANY (US) 1996-10-15 US disclosed
US-5362607-A Photo-patternable in absence of moisture; treating substrate with positive resist composition, baking, irradiating resist in patterned way, heating, developing; resist of water-soluble phenolic resin, tertiary butyl compound, aryl onium salt MICROSI, INC. (US) 1994-11-08 US disclosed
US-5310619-A Resist compositions comprising a phenolic resin, an acid forming onium salt and a tert-butyl ester or tert-butyl carbonate which is acid-cleavable MICROSI, INC. (US) 1994-05-10 US disclosed