SCHEMBL465453

SCHEMBL465453

OCC(O)C(O)C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
TRPA1 O75762 4/20 0.37
LMNA P02545 2/20 0.35
GRIN1 Q05586 4/20 0.35
GRIN2A Q12879 4/20 0.35
GRIN2D O15399 3/20 0.35
GRIN2C Q14957 3/20 0.35
GRIN2B Q13224 2/20 0.35
KIF11 P52732 2/20 0.34
KDM4E B2RXH2 2/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP2D6 P10635 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPK1 P28482 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL27770041 0.84 TDP1 (0.44) CYP2C19CYP1A2CYP2C9TRPA1LMNA
SCHEMBL27770044 0.84 TDP1 (0.44) CYP2C19CYP1A2CYP2C9TRPA1LMNA
SCHEMBL10335622 0.81 TRPA1 (0.40) CYP2C19CYP1A2CYP2C9TRPA1LMNA
SCHEMBL10703619 0.80 MEN1 (0.35) CYP2C19CYP1A2CYP2C9TRPA1LMNA
SCHEMBL7485618 0.79 KDM4E (0.38) LMNAKIF11KDM4EMAPK1
SCHEMBL10768854 0.77 ALDH1A1 (0.38) CYP2C19CYP1A2CYP2C9TRPA1LMNA
SCHEMBL11297836 0.77 ALDH1A1 (0.38) CYP2C19CYP1A2CYP2C9TRPA1LMNA
SCHEMBL8979347 0.77 GABRA1 (0.34) CYP1A2LMNAKDM4EMAPTALDH1A1
SCHEMBL4077896 0.76 CYP2C19 (0.38) CYP2C19CYP1A2CYP2C9TRPA1LMNA
SCHEMBL9453918 0.75 AGTR1 (0.39) CYP1A2LMNAKIF11KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240201165-A1 NANOPORE-BASED ANALYSIS OF ANALYTES RIJKSUNIVERSITEIT GRONINGEN (NL) 2024-06-20 US disclosed
WO-2024091124-A1 NANOPORE-BASED ANALYSIS OF PROTEINS RIJKSUNIVERSITEIT GRONINGEN (NL) 2024-05-02 WO disclosed
EP-3389394-B1 FOOD PRODUCT FOR REGULATING LIPID METABOLITES AND METHODS MARS INC (US) 2024-02-21 EP disclosed
US-11877587-B2 Infant nutrition with hydrolysed protein, ionic calcium and palmitic acid SOCIETE DES PRODUITS NESTLE S.A. (CH) 2024-01-23 US disclosed
US-20220408757-A1 FOOD PRODUCT FOR REGULATING LIPID METABOLITES AND METHODS MARS, INCORPORATED (US) 2022-12-29 US disclosed
EP-2280691-B1 crystalline DOPC MERCK PATENT GMBH (DE) 2022-08-03 EP disclosed
EP-2684021-B1 IMPROVEMENTS TO MATRIX ASSISTED LASER DESORPTION IONISATION MASS SPECTROMETRY IMAGING (MALDI-MSI) SHEFFIELD HALLAM UNIV (GB) 2020-07-08 EP disclosed
EP-3232820-B1 INFANT NUTRITION WITH HYDROLYSED PROTEIN, IONIC CALCIUM AND PALMITIC ACID NESTLE SA (CH) 2020-01-29 EP disclosed
EP-3124604-B1 ACID-TOLERANT YEAST CELL, METHOD OF PRODUCING ORGANIC ACID USING THE SAME, AND METHOD OF PRODUCING THE YEAST CELL SAMSUNG ELECTRONICS CO LTD (KR) 2019-09-04 EP disclosed
US-20190204474-A1 SYSTEM AND METHOD OF MAPPING TOPOLOGY PURDUE RESEARCH FOUNDATION (US) 2019-07-04 US disclosed
WO-1996041809-A1 NOVEL PROTECTING GROUPS AND USE THEREOF IN AN IMPROVED PROCESS FOR OLIGONUCLEOTIDE SYNTHESIS THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 1996-12-27 WO disclosed
EP-0681486-A1 NEW ZWITTERIONIC MATERIALS BIOCOMPATIBLES LIMITED (GB) 1995-11-15 EP disclosed
WO-1995020967-A1 COMPOSITION FOR WOUND HEALING, NEURON GROWTH AND VASCULARIZATION CELL THERAPEUTICS, INC. (US) 1995-08-10 WO disclosed
WO-1994016749-A1 NEW ZWITTERIONIC MATERIALS BIOCOMPATIBLES LIMITED (GB) 1994-08-04 WO disclosed
CN-1009931-B The method for preparing glycerol ether phosphatides HOFFMANN LA ROCHE (CH) 1990-10-10 CN disclosed
EP-0284314-A1 Langmuir-blodgett film aggregates K & V LICENCING OY (FI) 1988-09-28 EP disclosed
US-4694084-A Glycerol ether phosphatides HOFFMANN-LA ROCHE INC. (US) 1987-09-15 US disclosed
CN-85103123-A The method for preparing glycerol ether phosphatides 1986-10-22 CN disclosed
EP-0154977-A2 Glycerin-ether phosphatides, their preparation and use F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1985-09-18 EP disclosed
EP-0094586-A2 Glycerol derivatives, process for preparing same and pharmaceutical composition containing same ONO PHARMACEUTICAL CO., LTD. (JP) 1983-11-23 EP disclosed