Ethionine

Ethionine

SCHEMBL4763197

CC(C)O.CCSCC[C@H](N)C(=O)O

nearest known ligand 0.62

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Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BHMT Q93088 11/20 0.62
BHMT2 Q9H2M3 1/20 0.62
NOS2 P35228 2/20 0.53
NOS3 P29474 1/20 0.53
NOS1 P29475 1/20 0.53

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
Ethionine SCHEMBL8966 0.94 BHMT (0.63) BHMTBHMT2NOS2NOS3NOS1
Ethionine SCHEMBL8967 0.94 BHMT (0.63) BHMTBHMT2NOS2NOS3NOS1
Ethionine SCHEMBL7073863 0.94 BHMT (0.63) BHMTBHMT2NOS2NOS3NOS1
Ethionine SCHEMBL28436642 0.92 BHMT (0.62) BHMTBHMT2NOS2NOS3NOS1
Ethionine SCHEMBL28989455 0.92 BHMT (0.61) BHMTBHMT2NOS2NOS3NOS1
Ethionine SCHEMBL3348592 0.92 BHMT (0.61) BHMTBHMT2NOS2NOS3NOS1
Ethionine SCHEMBL28999714 0.92 BHMT (0.61) BHMTBHMT2NOS2NOS3NOS1
Ethionine SCHEMBL11572299 0.92 BHMT (0.61) BHMTBHMT2NOS2NOS3NOS1
Ethionine SCHEMBL31567824 0.92 BHMT (0.61) BHMTBHMT2NOS2NOS3NOS1
Ethionine SCHEMBL11571773 0.92 BHMT (0.61) BHMTBHMT2NOS2NOS3NOS1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1874407-B1 SUBSTANCES AND PHARMACEUTICAL COMPOSITIONS FOR THE INHIBITION OF GLYOXALASES AND THEIR USE AS ANTI-FUNGAL AGENTS BIOMAC PRIVATINSTITUT FÜR MEDIZINISCHE UND ZAHNMEDIZINISCHE FORSCHUNG ENTWICKLUNG UND DIAGNOSTIK GMB (DE) 2015-09-09 EP disclosed
EP-1877141-B1 SUBSTANCES AND PHARMACEUTICAL COMPOSITIONS FOR THE INHIBITION OF GLYOXALASES AND THEIR USE AGAINST BACTERIA BIOMAC PRIVATINSTITUT FUER MEDIZINISCHE UND ZAHNMEDIZINISCHE FORSCHUNG ENTWICKLUNG UND DIAGNOSTIK GM (DE) 2013-06-12 EP disclosed
EP-1877141-A2 SUBSTANCES AND PHARMACEUTICAL COMPOSITIONS FOR THE INHIBITION OF GLYOXALASES AND THEIR USE AGAINST BACTERIA Biomac Privatinstitut für medizinische und Zahnmedizinische Forschung, Entwicklung und Diagnostik GmbH (DE) 2008-01-16 EP disclosed
EP-1874407-A2 SUBSTANCES AND PHARMACEUTICAL COMPOSITIONS FOR THE INHIBITION OF GLYOXALASES AND THEIR USE AS ANTI-FUNGAL AGENTS Biomac Privatinstitut für medizinische und Zahnmedizinische Forschung, Entwicklung und Diagnostik GmbH (DE) 2008-01-09 EP disclosed
WO-2006108681-A2 SUBSTANCES AND PHARMACEUTICAL COMPOSITIONS FOR THE INHIBITION OF GLYOXALASES AND THEIR USE AGAINST BACTERIA BIOMAC PRIVATINSTITUT FÜR MEDIZINISCHE UND ZAHNMEDIZINISCHE FORSCHUNG, ENTWICKLUNG UND DIAGNOSTIK GMBH (DE) 2006-10-19 WO disclosed
WO-2006108682-A2 SUBSTANCES AND PHARMACEUTICAL COMPOSITIONS FOR THE INHIBITION OF GLYOXALASES AND THEIR USE AS ANTI-FUNGAL AGENTS BIOMAC PRIVATINSTITUT FÜR MEDIZINISCHE UND ZAHNMEDIZINISCHE FORSCHUNG, ENTWICKLUNG UND DIAGNOSTIK GMBH (DE) 2006-10-19 WO disclosed
WO-2006108680-A2 SUBSTANCES AND PHARMACEUTICAL COMPOSITIONS FOR THE INHIBITION OF GLYOXALASES AND THEIR USE AGAINST PROTOZOA AND HELMINTHES BIOMAC PRIVATINSTITUT FÜR MEDIZINISCHE UND ZAHNMEDIZINISCHE FORSCHUNG, ENTWICKLUNG UND DIAGNOSTIK GMBH (DE) 2006-10-19 WO disclosed