SCHEMBL486540

SCHEMBL486540

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
ALPL P05186 1/20 0.44
POLB P06746 1/20 0.44
ALPG P10696 1/20 0.44
CYP3A4 P08684 3/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 2/20 0.42
CTRB1 P17538 4/20 0.41
ALPI P09923 1/20 0.41
PKM P14618 1/20 0.41
PTGS1 P23219 1/20 0.41
XIAP P98170 1/20 0.41
SLC7A5 Q01650 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40

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
Acetic Acid SCHEMBL8664510 0.86 ALPL (0.52) NPC1RAB9AALPLPOLBALPG
Oxalic Acid SCHEMBL1050393 0.86 ALPL (0.52) NPC1RAB9AALPLPOLBALPG
SCHEMBL486291 0.84 ALPL (0.41) NPC1RAB9AALPLPOLBALPG
Bicarbonate SCHEMBL7573060 0.84 ALPL (0.53) NPC1RAB9AALPLPOLBALPG
Bicarbonate SCHEMBL7581612 0.84 ALPL (0.53) NPC1RAB9AALPLPOLBALPG
SCHEMBL17438433 0.81 NPC1 (0.49) NPC1RAB9AALPLPOLBALPG
Benzoic Acid SCHEMBL11538206 0.77 CA2 (0.57) NPC1RAB9AALPLPOLBALPG
SCHEMBL239595 0.77 ALPL (0.44) NPC1RAB9AALPLPOLBALPG
SCHEMBL486482 0.77 ALDH1A1 (0.55) NPC1RAB9AALPLPOLBALPG
SCHEMBL486237 0.74 CYP2D6 (0.46) ALPLPOLBALPGLMNATSHR

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 39 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-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
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-2010108723-A1 PREPEGS AND MOLDED BODIES PRODUCED THEREOF AT LOW TEMPERATURE EVONIK DEGUSSA GMBH (DE) 2010-09-30 WO disclosed
WO-2009156282-A1 HIGH-REACTIVITY, URETDIONE-CONTAINING POLYURETHANE COMPOSITIONS WHICH COMPRISE METAL-FREE ACETYLACETONATES EVONIK DEGUSSA GMBH (DE) 2009-12-30 WO disclosed