SCHEMBL1403869

SCHEMBL1403869

OCCCCCCCCN1CCCCC1

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.75
CYP1A2 P05177 1/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 4/20 0.47
MAPT P10636 3/20 0.47
ALOX15 P16050 1/20 0.47
SIGMAR1 Q99720 2/20 0.47
CXCR4 P61073 1/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.42

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
SCHEMBL11859421 1.00 HRH3 (0.75) HRH3CYP1A2MAPK1SMN1; SMN2ALDH1A1
SCHEMBL9158672 1.00 HRH3 (0.75) HRH3CYP1A2MAPK1SMN1; SMN2ALDH1A1
SCHEMBL1404029 1.00 HRH3 (0.75) HRH3CYP1A2MAPK1SMN1; SMN2ALDH1A1
SCHEMBL7374716 1.00 HRH3 (0.75) HRH3CYP1A2MAPK1SMN1; SMN2ALDH1A1
SCHEMBL1404041 1.00 HRH3 (0.75) HRH3CYP1A2MAPK1SMN1; SMN2ALDH1A1
SCHEMBL1404023 1.00 HRH3 (0.75) HRH3CYP1A2MAPK1SMN1; SMN2ALDH1A1
SCHEMBL1404107 1.00 HRH3 (0.75) HRH3CYP1A2MAPK1SMN1; SMN2ALDH1A1
SCHEMBL4504898 0.97 HRH3 (0.70) HRH3CYP1A2MAPK1SMN1; SMN2ALDH1A1
SCHEMBL9078 0.97 HRH3 (0.70) HRH3CYP1A2MAPK1SMN1; SMN2ALDH1A1
SCHEMBL1403845 0.97 HRH3 (0.70) HRH3CYP1A2MAPK1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1399409-B1 METHOD FOR PRODUCING (METH)ACRYLIC ACID ESTERS BASF SE (DE) 2012-10-31 EP claimed
CN-100349851-C Method for producing acrylic acid esters BASF AG (DE) 2007-11-21 CN claimed
CN-100349854-C Method for producing (meth) acrylic acid esters BASF AG (DE) 2007-11-21 CN claimed
US-7026503-B2 Method for producing (meth)acrylic acid esters BASF AKTIENGESELLSCHAFT (DE) 2006-04-11 US claimed
EP-1399408-B1 METHOD FOR PRODUCING (METH)ACRYLIC ACID ESTERS BASF AG (DE) 2006-03-22 EP claimed
CN-118047726-A Ferulic acid ester analogues, preparation method and application thereof 西北大学 2024-05-17 CN disclosed
US-10174349-B2 Recombinant cell producing 2-hydroxyisobutyric acid EVONIK ROEHM GMBH (DE) 2019-01-08 US disclosed
EP-2291530-B1 RECOMBINANT CELL PRODUCING 2-HYDROXYISOBUTYRIC ACID EVONIK ROEHM GMBH (DE) 2018-12-26 EP disclosed
WO-2017032699-A1 METHOD FOR PRODUCING LOW-BOILING (METH)ACRYLIC ACID ESTERS BASF SE (DE) 2017-03-02 WO disclosed
CN-101186603-B Process for preparing tetramethyl glycolide EVONIK ROEHM GMBH 2014-01-08 CN disclosed
CN-101186568-B Process for preparing (meth)acrylic acid EVONIK ROEHM GMBH 2013-04-03 CN disclosed
EP-2125771-B1 PROCESS FOR PREPARING TETRAMETHYL GLYCOLIDE EVONIK ROEHM GMBH (DE) 2013-03-20 EP disclosed
EP-2125771-A1 PROCESS FOR PREPARING TETRAMETHYL GLYCOLIDE Evonik Röhm GmbH (DE) 2009-12-02 EP disclosed
EP-2091906-A1 PROCESS FOR PREPARING (METH)ACRYLIC ACID Evonik Röhm GmbH (DE) 2009-08-26 EP disclosed
WO-2008061819-A1 PROCESS FOR PREPARING (METH)ACRYLIC ACID EVONIK RÖHM GMBH (DE) 2008-05-29 WO disclosed
WO-2008061821-A1 PROCESS FOR PREPARING TETRAMETHYL GLYCOLIDE EVONIK RÖHM GMBH (DE) 2008-05-29 WO disclosed
CN-101186568-A Process for preparing (meth)acrylic acid EVONIK ROEHM GMBH (DE) 2008-05-28 CN disclosed
CN-101186603-A Process for preparing tetramethyl glycolide EVONIK ROEHM GMBH (DE) 2008-05-28 CN disclosed
EP-0637303-A1 N-ARYLOXY(THIO)ALKYL-AZACYCLOALKANES USEFUL AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-02-08 EP disclosed
WO-1993022302-A1 N-ARYLOXY(THIO)ALKYL-AZACYCLOALKANES USEFUL AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-11-11 WO disclosed