Levulinic Acid

Levulinic Acid

SCHEMBL357248

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

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
BBOX1 O75936 10/20 0.46
FFAR3 O14843 2/20 0.46
HDAC3 O15379 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
LMNA P02545 1/20 0.46
SLC15A2 Q16348 1/20 0.46
ACHE P22303 1/20 0.44
CA1 P00915 2/20 0.40

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 SCHEMBL10483726 0.88 ALDH1A1 (0.62) ALDH1A1BBOX1FFAR3HDAC3HDAC1
Levulinic Acid SCHEMBL21815731 0.88 ALDH1A1 (0.62) ALDH1A1BBOX1FFAR3HDAC3HDAC1
Levulinic Acid SCHEMBL9080589 0.88 ALDH1A1 (0.62) ALDH1A1BBOX1FFAR3HDAC3HDAC1
Levulinic Acid SCHEMBL1041056 0.88 ALDH1A1 (0.62) ALDH1A1BBOX1FFAR3HDAC3HDAC1
Levulinic Acid SCHEMBL17821549 0.88 ALDH1A1 (0.62) ALDH1A1BBOX1FFAR3HDAC3HDAC1
Levulinic Acid SCHEMBL25222492 0.88 ALDH1A1 (0.62) ALDH1A1BBOX1FFAR3HDAC3HDAC1
Levulinic Acid SCHEMBL21815652 0.88 ALDH1A1 (0.62) ALDH1A1BBOX1FFAR3HDAC3HDAC1
Levulinic Acid SCHEMBL21815796 0.88 ALDH1A1 (0.62) ALDH1A1BBOX1FFAR3HDAC3HDAC1
Levulinic Acid SCHEMBL21815632 0.88 ALDH1A1 (0.62) ALDH1A1BBOX1FFAR3HDAC3HDAC1
Levulinic Acid SCHEMBL669467 0.88 ALDH1A1 (0.62) ALDH1A1BBOX1FFAR3HDAC3HDAC1

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
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
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