SCHEMBL9517358

SCHEMBL9517358

CC(=O)C(C)(C(=O)O)C(C)C(=O)O.CC(=O)C(CC(=O)O)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 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
SCHEMBL380554 0.83 ALDH1A1 (0.35)
SCHEMBL2045388 0.77 TDP1 (0.48) TDP1
SCHEMBL8909192 0.77 TDP1 (0.48) TDP1
SCHEMBL28422790 0.74 TDP1 (0.46) TDP1
SCHEMBL4206119 0.72 ALDH1A1 (0.40)
SCHEMBL9517354 0.71 SMN1; SMN2 (0.35) TDP1
SCHEMBL9517361 0.70 TDP1 (0.37) TDP1
SCHEMBL517199 0.70 SLC22A6 (0.45) TDP1
SCHEMBL8372729 0.66 TSHR (0.39) TDP1
SCHEMBL25787072 0.66 TSHR (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0401532-B1 PROCESS FOR THE PREPARATION OF A STORAGE STABLE LEVULINIC ACID Chemie Linz Gesellschaft m.b.H. (AT) 1993-03-24 EP claimed
EP-0401532-A1 Process for the preparation of a storage stable levulinic acid Chemie Linz Gesellschaft m.b.H. (AT) 1990-12-12 EP claimed