SCHEMBL486482

SCHEMBL486482

CC(=O)CC(=O)C(=O)[O-].C[N+](C)(C)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
KDM4E B2RXH2 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
ALPL P05186 1/20 0.44
POLB P06746 1/20 0.44
ALPG P10696 1/20 0.44
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
LMNA P02545 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
MAPT P10636 2/20 0.36
BRD4 O60885 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35

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
Acetoacetic Acid SCHEMBL6885133 0.88 ALDH1A1 (0.57) ALDH1A1KDM4ETDP1ALPLPOLB
Oxalic Acid SCHEMBL153608 0.86 ALDH1A1 (0.68) ALDH1A1KDM4ETDP1ALPLPOLB
Acetic Acid SCHEMBL593316 0.86 ALDH1A1 (0.68) ALDH1A1KDM4ETDP1ALPLPOLB
Oxalic Acid SCHEMBL1052971 0.84 ALDH1A1 (0.65) ALDH1A1KDM4ETDP1ALPLPOLB
SCHEMBL486237 0.84 CYP2D6 (0.46) ALDH1A1KDM4ETDP1ALPLPOLB
Bicarbonate SCHEMBL988121 0.84 ALDH1A1 (0.71) ALDH1A1KDM4ETDP1ALPLPOLB
Bicarbonate SCHEMBL988119 0.84 ALDH1A1 (0.71) ALDH1A1KDM4ETDP1ALPLPOLB
Methacrylic Acid SCHEMBL5279124 0.83 ALDH1A1 (0.59) ALDH1A1KDM4ETDP1ALPLPOLB
Malonic Acid SCHEMBL3949002 0.82 ALDH1A1 (0.63) ALDH1A1KDM4ETDP1ALPLPOLB
Bicarbonate SCHEMBL2774106 0.82 ALDH1A1 (0.68) ALDH1A1KDM4ETDP1ALPLPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3330311-B1 STORAGE STABLE 1K-POLYURETHANE-PREPREGS AND MOULDED ARTICLE MADE FROM SAME ON THE BASIS OF A POLYURETHANE COMPOSITION EVONIK OPERATIONS GMBH (DE) 2021-05-05 EP claimed
EP-3330311-A1 STORAGE STABLE 1K-POLYURETHANE-PREPREGS AND MOULDED ARTICLE MADE FROM SAME ON THE BASIS OF A POLYURETHANE COMPOSITION Evonik Degussa GmbH (DE) 2018-06-06 EP claimed
EP-2411439-B1 PREPEGS AND MOLDED BODIES PRODUCED THEREOF AT LOW TEMPERATURE EVONIK DEGUSSA GMBH (DE) 2016-11-16 EP claimed
EP-2688934-A1 STORAGE-STABLE POLYURETHANE PREPREGS AND MOLDED PARTS PRODUCED THEREFROM MADE OF POLYURETHANE COMPOSITION HAVING LIQUID RESIN COMPONENTS Evonik Degussa GmbH (DE) 2014-01-29 EP claimed
WO-2012130672-A1 STORAGE-STABLE POLYURETHANE PREPREGS AND MOLDED PARTS PRODUCED THEREFROM MADE OF POLYURETHANE COMPOSITION HAVING LIQUID RESIN COMPONENTS EVONIK DEGUSSA GMBH (DE) 2012-10-04 WO claimed
EP-2291424-B1 HIGH-REACTIVITY, URETDIONE-CONTAINING POLYURETHANE COMPOSITIONS WHICH COMPRISE METAL-FREE ACETYLACETONATES EVONIK DEGUSSA GMBH (DE) 2012-02-22 EP claimed
EP-2411439-A1 PREPEGS AND MOLDED BODIES PRODUCED THEREOF AT LOW TEMPERATURE Evonik Degussa GmbH (DE) 2012-02-01 EP claimed
EP-2291424-A1 HIGH-REACTIVITY, URETDIONE-CONTAINING POLYURETHANE COMPOSITIONS WHICH COMPRISE METAL-FREE ACETYLACETONATES Evonik Degussa GmbH (DE) 2011-03-09 EP claimed
WO-2010108723-A1 PREPEGS AND MOLDED BODIES PRODUCED THEREOF AT LOW TEMPERATURE EVONIK DEGUSSA GMBH (DE) 2010-09-30 WO claimed
WO-2009156282-A1 HIGH-REACTIVITY, URETDIONE-CONTAINING POLYURETHANE COMPOSITIONS WHICH COMPRISE METAL-FREE ACETYLACETONATES EVONIK DEGUSSA GMBH (DE) 2009-12-30 WO claimed
EP-3330311-B1 STORAGE STABLE 1K-POLYURETHANE-PREPREGS AND MOULDED ARTICLE MADE FROM SAME ON THE BASIS OF A POLYURETHANE COMPOSITION EVONIK OPERATIONS GMBH (DE) 2021-05-05 EP disclosed
EP-2619242-B1 METHOD FOR PRODUCING STORAGE-STABLE POLYURETHANE PREPREGS AND MOLDING BODIES PRODUCED THEREFROM ON THE BASIS OF A POLYURETHANE COMPOSITION IN SOLUTION EVONIK OPERATIONS GMBH (DE) 2020-12-02 EP disclosed
EP-2688934-B1 STORAGE-STABLE POLYURETHANE PREPREGS AND MOLDED PARTS PRODUCED THEREFROM MADE OF POLYURETHANE COMPOSITION HAVING LIQUID RESIN COMPONENTS EVONIK DEGUSSA GMBH (DE) 2019-10-02 EP disclosed
EP-3330311-A1 STORAGE STABLE 1K-POLYURETHANE-PREPREGS AND MOULDED ARTICLE MADE FROM SAME ON THE BASIS OF A POLYURETHANE COMPOSITION Evonik Degussa GmbH (DE) 2018-06-06 EP disclosed
EP-3162827-B1 COATING AGENT WITH MONOALLOPHANATES BASED ON ALKOXYSILANAL KYLISOCYANATES EVONIK DEGUSSA GMBH (DE) 2018-06-06 EP disclosed
EP-2291424-B1 HIGH-REACTIVITY, URETDIONE-CONTAINING POLYURETHANE COMPOSITIONS WHICH COMPRISE METAL-FREE ACETYLACETONATES EVONIK DEGUSSA GMBH (DE) 2012-02-22 EP disclosed
WO-2011157507-A1 SEMIFINISHED PRODUCT FOR THE PRODUCTION OF FIBRE COMPOSITE COMPONENTS BASED ON STABLE POLYURETHANE COMPOSITIONS EVONIK DEGUSSA GMBH (DE) 2011-12-22 WO disclosed
WO-2011147688-A1 METHOD FOR PRODUCING STORAGE-STABLE POLYURETHANE PREPREGS AND MOLDINGS PRODUCED THEREFROM EVONIK DEGUSSA GMBH (DE) 2011-12-01 WO disclosed
EP-2291424-A1 HIGH-REACTIVITY, URETDIONE-CONTAINING POLYURETHANE COMPOSITIONS WHICH COMPRISE METAL-FREE ACETYLACETONATES Evonik Degussa GmbH (DE) 2011-03-09 EP disclosed
WO-2009156282-A1 HIGH-REACTIVITY, URETDIONE-CONTAINING POLYURETHANE COMPOSITIONS WHICH COMPRISE METAL-FREE ACETYLACETONATES EVONIK DEGUSSA GMBH (DE) 2009-12-30 WO disclosed