SCHEMBL1415115

SCHEMBL1415115

C=CCOC(=O)CCC(=O)CBr

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 5/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
CYP3A4 P08684 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
EPHX2 P34913 1/20 0.35
MAPT P10636 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
HSD17B10 Q99714 2/20 0.32
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
TRPA1 O75762 1/20 0.31
FAAH O00519 2/20 0.31

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
SCHEMBL56403 0.85 TSHR (0.63) TSHRPKMSMN1; SMN2ALDH1A1GAA
Ammonia Solution, Strong SCHEMBL29207431 0.83 TSHR (0.61) TSHRPKMSMN1; SMN2ALDH1A1GAA
SCHEMBL28545578 0.83 TSHR (0.61) TSHRPKMSMN1; SMN2ALDH1A1GAA
SCHEMBL10564844 0.82 FAAH (0.46) TSHRPKMSMN1; SMN2ALDH1A1GAA
SCHEMBL253070 0.81
SCHEMBL299657 0.81
SCHEMBL4850215 0.80 TSHR (0.50) TSHRPKMSMN1; SMN2ALDH1A1GAA
SCHEMBL4892522 0.80 TSHR (0.50) TSHRPKMSMN1; SMN2ALDH1A1GAA
SCHEMBL22750851 0.80 TSHR (0.59) TSHRPKMSMN1; SMN2ALDH1A1GAA
SCHEMBL10595435 0.80 TSHR (0.59) TSHRPKMSMN1; SMN2ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8022229-B2 Process for the preparation of alkyl 5-(dicarboximido) levulinate and alkyl 4-oxo-pentenoate ALFA-SYNTHON AB (SE) 2011-09-20 US claimed
EP-1833790-B1 PROCESS FOR THE PREPARATION OF ALKYL 5-(DICARBOXIMIDO)LEVULINATE AND ALKYL 4-OXO-PENTENOATE ALFA SYNTHON AB (SE) 2011-03-16 EP claimed
US-7339073-B2 Method for obtaining 5-halogenolaevulinic acid alkyl esters ALDENKORTT SVEN 2008-03-04 US claimed
US-20080027233-A1 Process for the Preparation of Alkyl 5-(Dicarboximido) Levulinate and Alkyl 4-Oxopentenoate ESQUIRE AB (SE) 2008-01-31 US claimed
EP-1833790-A1 PROCESS FOR THE PREPARATION OF ALKYL 5-(DICARBOXIMIDO)LEVULINATE AND ALKYL 4-OXO-PENTENOATE Biosynth AB (SE) 2007-09-19 EP claimed
WO-2006048236-A1 PROCESS FOR THE PREPARATION OF ALKYL 5- (DICARBOXIMIDO) LEVULINATE AND ALKYL 4-OXO-PENTENOATE BIOSYNTH AB (SE) 2006-05-11 WO claimed
US-20050070727-A1 Method for obtaining 5-halogenolaevulinic acid alkyl esters ALDENKORTT DR SVEN (DE) 2005-03-31 US claimed
US-6583317-B1 Amination with hexamethylenetetramine; hydrolysis with an inorganic acid MIDWEST RESEARCH INSTITUTE 2003-06-24 US claimed
WO-2002032852-A2 SYNTHESIS OF ACID ADDITION SALT OF DELTA-AMINOLEVULINIC ACID FROM 5-BROMO LEVULINIC ACID ESTERS MIDWEST RESEARCH INSTITUTE (US) 2002-04-25 WO claimed
US-5907058-A Synthesis of an acid addition salt of delta-aminolevulinic acid from 5-bromo levulinic acid esters MIDWEST RESEARCH INSTITUTE (US) 1999-05-25 US claimed
US-8022229-B2 Process for the preparation of alkyl 5-(dicarboximido) levulinate and alkyl 4-oxo-pentenoate ALFA-SYNTHON AB (SE) 2011-09-20 US disclosed
EP-1833790-B1 PROCESS FOR THE PREPARATION OF ALKYL 5-(DICARBOXIMIDO)LEVULINATE AND ALKYL 4-OXO-PENTENOATE ALFA SYNTHON AB (SE) 2011-03-16 EP disclosed
EP-2007711-A1 5-AMINOLEVULINIC ACID SALTS AND THEIR USE Bar Ilan University (IL) 2008-12-31 EP disclosed
US-20080027233-A1 Process for the Preparation of Alkyl 5-(Dicarboximido) Levulinate and Alkyl 4-Oxopentenoate ESQUIRE AB (SE) 2008-01-31 US disclosed
WO-2007107998-A1 5-AMINOLEVULINIC ACID SALTS AND THEIR USE BAR ILAN UNIVERSITY (IL) 2007-09-27 WO disclosed
WO-2006048236-A1 PROCESS FOR THE PREPARATION OF ALKYL 5- (DICARBOXIMIDO) LEVULINATE AND ALKYL 4-OXO-PENTENOATE BIOSYNTH AB (SE) 2006-05-11 WO disclosed
US-6583317-B1 Amination with hexamethylenetetramine; hydrolysis with an inorganic acid MIDWEST RESEARCH INSTITUTE 2003-06-24 US disclosed
WO-2002032852-A3 SYNTHESIS OF ACID ADDITION SALT OF DELTA-AMINOLEVULINIC ACID FROM 5-BROMO LEVULINIC ACID ESTERS MIDWEST RESEARCH INST (US) 2003-06-05 WO disclosed
WO-2002032852-A2 SYNTHESIS OF ACID ADDITION SALT OF DELTA-AMINOLEVULINIC ACID FROM 5-BROMO LEVULINIC ACID ESTERS MIDWEST RESEARCH INSTITUTE (US) 2002-04-25 WO disclosed
US-5907058-A Synthesis of an acid addition salt of delta-aminolevulinic acid from 5-bromo levulinic acid esters MIDWEST RESEARCH INSTITUTE (US) 1999-05-25 US disclosed