Levulinic Acid

Levulinic Acid

SCHEMBL535193

CC(=O)CCC(=O)[O-].CCc1[nH]cc[n+]1C

nearest known ligand 0.31

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Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
Levulinic Acid SCHEMBL3393287 0.94 LMNA (0.38)
Acetic Acid SCHEMBL302240 0.87
Levulinic Acid SCHEMBL535036 0.86 CA1 (0.35) FFAR3HDAC3HDAC1HDAC2HDAC8
Propionic Acid SCHEMBL528119 0.85
Beta-Alanine SCHEMBL16345992 0.85 FFAR3 (0.31) FFAR3HDAC3HDAC1HDAC2HDAC8
Bicarbonate SCHEMBL9901065 0.84 ALDH1A1 (0.31) ALDH1A1
Glycine SCHEMBL9901333 0.83
Undecanoate SCHEMBL1661242 0.82 FABP3 (0.44)
Heptanoate SCHEMBL1664015 0.82 FABP3 (0.44)
Dodecanoate SCHEMBL1661355 0.82 FABP3 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414476-A1 IONIC COMPOUNDS IN LITHIUM BROMIDE/WATER ABSORPTION CYCLE SYSTEMS E. I. du Pont de Nemours and Company (US) 2012-02-08 EP claimed
WO-2010117836-A1 IONIC COMPOUNDS IN LITHIUM BROMIDE/WATER ABSORPTION CYCLE SYSTEMS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-10-14 WO claimed
WO-2010065606-A2 PROCESS FOR FERMENTIVE PREPARATION OF ALCOHOLS AND RECOVERY OF PRODUCT E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-06-10 WO claimed
EP-2414476-A1 IONIC COMPOUNDS IN LITHIUM BROMIDE/WATER ABSORPTION CYCLE SYSTEMS E. I. du Pont de Nemours and Company (US) 2012-02-08 EP disclosed
WO-2010117836-A1 IONIC COMPOUNDS IN LITHIUM BROMIDE/WATER ABSORPTION CYCLE SYSTEMS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-10-14 WO disclosed
WO-2010065606-A2 PROCESS FOR FERMENTIVE PREPARATION OF ALCOHOLS AND RECOVERY OF PRODUCT E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-06-10 WO disclosed