Levulinic Acid

Levulinic Acid

SCHEMBL357249

CC(=O)CCC(=O)O.C[N+](C)(C)C

nearest known ligand 0.82

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.82
SLC15A2 Q16348 1/20 0.82
ALDH1A1 P00352 2/20 0.59
EGLN1 Q9GZT9 5/20 0.53
ALKBH5 Q6P6C2 1/20 0.53
SUCNR1 Q9BXA5 1/20 0.53
PHF8 Q9UPP1 5/20 0.52
KDM2A Q9Y2K7 5/20 0.52
KDM4E B2RXH2 3/20 0.52
KDM5C P41229 3/20 0.52
KDM6B O15054 2/20 0.52
ACHE P22303 1/20 0.46
FFAR3 O14843 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
TSHR P16473 2/20 0.41
MAPK1 P28482 1/20 0.41
SLC13A3 Q8WWT9 1/20 0.41

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 SCHEMBL27931545 0.91 LMNA (1.00) LMNASLC15A2ALDH1A1EGLN1ALKBH5
Levulinic Acid SCHEMBL20868 0.91
Levulinic Acid SCHEMBL30530258 0.91
Levulinic Acid SCHEMBL113572 0.91 LMNA (1.00) LMNASLC15A2ALDH1A1EGLN1ALKBH5
Levulinic Acid SCHEMBL21815633 0.88
Levulinic Acid SCHEMBL21815732 0.88
Levulinic Acid SCHEMBL1375214 0.88
Levulinic Acid SCHEMBL21815797 0.88
Levulinic Acid SCHEMBL21815654 0.88
Levulinic Acid SCHEMBL8063365 0.88 LMNA (0.93) LMNASLC15A2ALDH1A1EGLN1ALKBH5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102449101-A Ionic compounds in lithium bromide/water absorption cycle systems DU PONT 2012-05-09 CN 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 claimed
US-20120011886-A1 IONIC COMPOUNDS IN LITHIUM BROMIDE/WATER ABSORPTION CYCLE SYSTEMS E. I. DU PONT DE NEMOURS AND COMPANY 2012-01-19 US 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
CN-102449101-A Ionic compounds in lithium bromide/water absorption cycle systems DU PONT 2012-05-09 CN disclosed
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
US-20120011886-A1 IONIC COMPOUNDS IN LITHIUM BROMIDE/WATER ABSORPTION CYCLE SYSTEMS E. I. DU PONT DE NEMOURS AND COMPANY 2012-01-19 US 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