SCHEMBL628572

SCHEMBL628572

CCCCC([O])OCC

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL628104 0.92 OPRM1 (0.44)
SCHEMBL7335577 0.90 ZDHHC7 (0.44)
SCHEMBL4839978 0.90 ZDHHC7 (0.44)
SCHEMBL7337998 0.90 ZDHHC7 (0.44)
SCHEMBL7336733 0.90 ZDHHC7 (0.44)
SCHEMBL7341648 0.90 ZDHHC7 (0.44)
SCHEMBL7332033 0.90 ZDHHC7 (0.44)
SCHEMBL2670936 0.84 CYP3A4 (0.39)
SCHEMBL2671475 0.84 DNM1 (0.36)
SCHEMBL424765 0.83

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107072993-B Pharmaceutical containing sodium-dependent phosphate transporter inhibitor 中外制药株式会社 2021-02-12 CN disclosed
US-20180319798-A1 1,3,4,8-Tetrahydro-2H-Pyrido[1,2-a]Pyrazine Derivative and Use of the Same as HIV Integrase Inhibitor JAPAN TOBACCO INC. (JP) 2018-11-08 US disclosed
US-10087178-B2 Substituted spiropyrido[1,2-a]pyrazine derivative and medicinal use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2018-10-02 US disclosed
US-10065950-B2 Substituted thiazoles as HIV integrase inhibitors JAPAN TOBACCO INC. (JP) 2018-09-04 US disclosed
EP-2940019-B1 SUBSTITUTED SPIROPYRIDO[1,2-a]PYRAZINE DERIVATIVE AND MEDICINAL USE THEREOF AS HIV INTEGRASE INHIBITOR JAPAN TOBACCO INC (JP) 2018-03-28 EP disclosed
US-20170044156-A1 SUBSTITUTED SPIROPYRIDO[1,2-a]PYRAZINE DERIVATIVE AND MEDICINAL USE THEREOF AS HIV INTEGRASE INHIBITOR JAPAN TOBACCO INC. (JP) 2017-02-16 US disclosed
US-20160046641-A1 SUBSTITUTED SPIROPYRIDO[1,2-a]PYRAZINE DERIVATIVE AND PHARMACEUTICAL USE OF SAME AS HIV INTEGRASE INHIBITOR JAPAN TOBACCO INC (JP) 2016-02-18 US disclosed
EP-2940019-A1 SUBSTITUTED SPIROPYRIDO[1,2-a]PYRAZINE DERIVATIVE AND MEDICINAL USE THEREOF AS HIV INTEGRASE INHIBITOR Japan Tobacco, Inc. (JP) 2015-11-04 EP disclosed
EP-2540720-B1 1,3,4,8-TETRAHYDRO-2H-PYRIDO[1,2-A]PYRAZINE DERIVATIVE AND USE OF SAME AS HIV INTEGRASE INHIBITOR JAPAN TOBACCO INC (JP) 2015-04-15 EP disclosed
US-20140221380-A1 SUBSTITUTED SPIROPYRIDO[1,2-a]PYRAZINE DERIVATIVE AND PHARMACEUTICAL USE OF SAME AS HIV INTEGRASE INHIBITOR JAPAN TOBACCO INC. (JP) 2014-08-07 US disclosed
US-20020082302-A1 Reacting tetrahydrofuan-imidazoline compound with metal organic derivative of 1-(3-R1-4-R2-phen-1-yl)- 2-R3-3-halogen propanes; removal of the pseudoephedrine protecting group and -OH group, reaction with amine and removal of protecting group BELLUS DANIEL (CH) 2002-06-27 US disclosed
EP-1215201-A2 Process for the preparation of aryloctanoyl amides Speedel Pharma AG (CH) 2002-06-19 EP disclosed
EP-1200390-A1 PRODUCTION OF N-SUBSTITUTED 2,7-DIALKYL-4-HYDROXY-5-AMINO-8-ARYL-OCTANOYLAMIDES Speedel Pharma AG (CH) 2002-05-02 EP disclosed
WO-2002008172-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED OCTANOYL AMIDES SPEEDEL PHARMA AG (CH) 2002-01-31 WO disclosed
WO-2002002508-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED OCTANOYL AMIDES SPEEDEL PHARMA AG (CH) 2002-01-10 WO disclosed
WO-2002002500-A1 PREPARATION OF (R)-2-ALKYL-3-PHENYLPROPIONIC ACIDS SPEEDEL PHARMA AG (CH) 2002-01-10 WO disclosed
WO-2002002487-A1 PROCESS FOR THE PREPARATION OF (R)-2-ALKYL-3-PHENYL-1-PROPANOLS SPEEDEL PHARMA AG (CH) 2002-01-10 WO disclosed
WO-2001009083-A1 PRODUCTION OF N-SUBSTITUTED 2,7-DIALKYL-4-HYDROXY-5-AMINO-8-ARYL-OCTANOYLAMIDES SPEEDEL PHARMA AG (CH) 2001-02-08 WO disclosed
US-6174887-B1 Amide compounds and use of the same JAPAN TOBACCO INC. (JP) 2001-01-16 US disclosed
EP-0849256-A1 AMIDE COMPOUNDS AND USE OF THE SAME Japan Tobacco Inc. (JP) 1998-06-24 EP disclosed