SCHEMBL722436

SCHEMBL722436

CC(=O)CC1=CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
SMN1; SMN2 Q16637 7/20 0.44
ALOX15 P16050 2/20 0.43
HPGD P15428 2/20 0.43
TAAR1 Q96RJ0 1/20 0.41
NPC1 O15118 6/20 0.40
RAB9A P51151 6/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
TSHR P16473 1/20 0.40
MAPT P10636 2/20 0.40
EPHX1 P07099 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL3647069 0.94
SCHEMBL66707 0.83 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2ALOX15HPGDNPC1
SCHEMBL6165925 0.83 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2ALOX15HPGDTAAR1
SCHEMBL989411 0.82
SCHEMBL14044903 0.82 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2ALOX15HPGDTAAR1
SCHEMBL7776189 0.81 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2ALOX15HPGDTAAR1
SCHEMBL7991192 0.81 CXCR3 (0.42) ALDH1A1SMN1; SMN2ALOX15HPGDNPC1
SCHEMBL971269 0.81 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2ALOX15HPGDTAAR1
SCHEMBL10378958 0.80 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2ALOX15HPGDTAAR1
SCHEMBL2220979 0.80 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2ALOX15HPGDTAAR1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2046147-B1 METHOD OF USING ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2013-05-01 EP claimed
US-6749998-B2 REACTIVE DOUBLE BONDS, HYDRAZINES, OXIMES, HYDROQUINONE, PYROGALLOL, GALLIC ACID, THIOLS, ALDEHYDES, BUTYROPHENONES, HYDROXYTOLUENES, 3-TERT-BUTYL-4-HYDROXY ANISOLE, TOCOPHEROL, 6-HYDROXY-2,5,7,8-TETRAMETHYLCHROMAN-2-CARBOXYLIC ACID MALLINCKRODT BAKER INC. 2004-06-15 US claimed
US-20020037479-A1 Photoresist strippers containing reducing agents to reduce metal corrosion MALLINCKRODT BAKER, INC. 2002-03-28 US claimed
EP-0647884-B1 Photoresist strippers containing reducing agents to reduce metal corrosion MALLINCKRODT BAKER INC (US) 1998-04-08 EP claimed
EP-0647884-A1 Photoresist strippers containing reducing agents to reduce metal corrosion MALLINCKRODT BAKER, Inc. (US) 1995-04-12 EP claimed
CN-112774669-A Monoatomic noble metal/graphene catalyst for toluene hydrogenation and preparation method thereof 北京氦舶科技有限责任公司 2021-05-11 CN disclosed
CN-109772311-A A kind of toluene complete hydrogenation hexahydrotoluene loaded catalyst and preparation method thereof, application method 郑州大学 2019-05-21 CN disclosed
WO-2016196994-A9 REAGENTS FOR QUANTITATIVE MASS SPECTROMETRY PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-03-02 WO disclosed
EP-2478355-A1 METHODS FOR DETECTING AUTODIGESTION The Regents of The University of California (US) 2012-07-25 EP disclosed
US-20120048295-A1 CLEANING FORMULATION FOR REMOVING RESIDUES ON SURFACES FUJIFILM ELECTRONIC MATERIALS U.S.A., INC. (US) 2012-03-01 US disclosed
EP-1917269-B1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMA (US) 2011-10-26 EP disclosed
US-7947637-B2 Cleaning formulation for removing residues on surfaces FUJIFILM ELECTRONIC MATERIALS, U.S.A., INC. (US) 2011-05-24 US disclosed
WO-2008005354-A2 CLEANING FORMULATION FOR REMOVING RESIDUES ON SURFACES FUJIFILM ELECTRONIC MATERIALS U.S.A., INC. (US) 2008-01-10 WO disclosed
US-20080004197-A1 CLEANING FORMULATION FOR REMOVING RESIDUES ON SURFACES FUJIFILM ELECTRONIC MATERIALS U.S.A., INC. 2008-01-03 US disclosed
US-6749998-B2 REACTIVE DOUBLE BONDS, HYDRAZINES, OXIMES, HYDROQUINONE, PYROGALLOL, GALLIC ACID, THIOLS, ALDEHYDES, BUTYROPHENONES, HYDROXYTOLUENES, 3-TERT-BUTYL-4-HYDROXY ANISOLE, TOCOPHEROL, 6-HYDROXY-2,5,7,8-TETRAMETHYLCHROMAN-2-CARBOXYLIC ACID MALLINCKRODT BAKER INC. 2004-06-15 US disclosed
US-20020037479-A1 Photoresist strippers containing reducing agents to reduce metal corrosion MALLINCKRODT BAKER, INC. 2002-03-28 US disclosed
US-6326130-B1 ALKALINE SOLUTION CONTAINING 1-METHYL-2-PYRROLIDINONE, ETHANOLAMINE AND REDUCING AGENT MALLINCKRODT BAKER, INC. 2001-12-04 US disclosed
EP-0647884-B1 Photoresist strippers containing reducing agents to reduce metal corrosion MALLINCKRODT BAKER INC (US) 1998-04-08 EP disclosed
EP-0647884-A1 Photoresist strippers containing reducing agents to reduce metal corrosion MALLINCKRODT BAKER, Inc. (US) 1995-04-12 EP disclosed
US-3953494-A FORMING ACIDS AND ESTERS SOUTHERN ILLINOIS UNIVERSITY FOUNDATION (US) 1976-04-27 US disclosed