SCHEMBL486237

SCHEMBL486237

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
TAS2R10 Q9NYW0 1/20 0.46
CYP1A2 P05177 1/20 0.43
ALDH1A1 P00352 3/20 0.40
ALPL P05186 1/20 0.38
POLB P06746 1/20 0.38
ALPG P10696 1/20 0.38
CCR5 P51681 2/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
CHRNA7 P36544 2/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CHRM2 P08172 2/20 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
Pyruvate SCHEMBL7965464 0.87 LMNA (0.47) CYP2D6LMNAMEN1TSHRKMT2A
Oxalic Acid SCHEMBL1050278 0.87 LMNA (0.49) CYP2D6LMNAMEN1TSHRKMT2A
Acetic Acid SCHEMBL306020 0.87 LMNA (0.49) CYP2D6LMNAMEN1TSHRKMT2A
Oxalic Acid SCHEMBL1050280 0.85 LMNA (0.48) CYP2D6LMNAMEN1TSHRKMT2A
Bicarbonate SCHEMBL28141095 0.85 LMNA (0.48) CYP2D6LMNAMEN1TSHRKMT2A
Bicarbonate SCHEMBL7442433 0.85 MEN1 (0.48) CYP2D6LMNAMEN1TSHRKMT2A
Bicarbonate SCHEMBL315104 0.85 LMNA (0.50) CYP2D6LMNAMEN1TSHRKMT2A
Bicarbonate SCHEMBL315102 0.85 LMNA (0.50) CYP2D6LMNAMEN1TSHRKMT2A
SCHEMBL486482 0.84 ALDH1A1 (0.55) LMNAALDH1A1ALPLPOLBALPG
Malonic Acid SCHEMBL3957236 0.83 CYP2D6 (0.50) CYP2D6LMNAMEN1TSHRKMT2A

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 35 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
WO-2010108723-A1 PREPEGS AND MOLDED BODIES PRODUCED THEREOF AT LOW TEMPERATURE EVONIK DEGUSSA GMBH (DE) 2010-09-30 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-3162827-B1 COATING AGENT WITH MONOALLOPHANATES BASED ON ALKOXYSILANAL KYLISOCYANATES EVONIK DEGUSSA GMBH (DE) 2018-06-06 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-3263619-A1 ALKOXYSILANE AND ALLOPHANATE FUNCTIONALISED COATING AGENT Evonik Degussa GmbH (DE) 2018-01-03 EP disclosed
WO-2012038203-A1 PREPREGS BASED ON A STORAGE-STABLE REACTIVE OR HIGHLY REACTIVE POLYURETHANE COMPOSITION EVONIK DEGUSSA GMBH (DE) 2012-03-29 WO disclosed
EP-2291424-B1 HIGH-REACTIVITY, URETDIONE-CONTAINING POLYURETHANE COMPOSITIONS WHICH COMPRISE METAL-FREE ACETYLACETONATES EVONIK DEGUSSA GMBH (DE) 2012-02-22 EP disclosed
EP-2411439-A1 PREPEGS AND MOLDED BODIES PRODUCED THEREOF AT LOW TEMPERATURE Evonik Degussa GmbH (DE) 2012-02-01 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
WO-2010108723-A1 PREPEGS AND MOLDED BODIES PRODUCED THEREOF AT LOW TEMPERATURE EVONIK DEGUSSA GMBH (DE) 2010-09-30 WO disclosed