SCHEMBL7564595

SCHEMBL7564595

CC(C)(C)C(=O)C1C(=O)COC1=O

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
HBB P68871 1/20 0.40
HSD17B10 Q99714 1/20 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
SCHEMBL5924227 0.77
SCHEMBL9876671 0.76
SCHEMBL368280 0.74
SCHEMBL16431484 0.73 ALDH1A1 (0.48) ALDH1A1HBBHSD17B10
SCHEMBL1298896 0.72 ATM (0.31)
SCHEMBL7963075 0.72
SCHEMBL1521223 0.72 BRD4 (0.38) ALDH1A1
SCHEMBL10192793 0.70 ALDH1A1 (0.45) ALDH1A1HBBHSD17B10
SCHEMBL3010029 0.67 ALDH1A1 (0.40) ALDH1A1HSD17B10
SCHEMBL5924311 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0746551-B1 OPTICALLY PURE 4-ARYL-2-HYDROXYTETRONIC ACIDS UNIV OHIO STATE RES FOUND (US) 2002-09-04 EP disclosed
EP-0746551-A1 OPTICALLY PURE 4-ARYL-2-HYDROXYTETRONIC ACIDS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1996-12-11 EP disclosed
US-5504108-A ANTIAGGLOMERANTS, ANTIARTHRITIC AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1996-04-02 US disclosed
WO-1995023139-A1 OPTICALLY PURE 4-ARYL-2-HYDROXYTETRONIC ACIDS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1995-08-31 WO disclosed
US-5399721-A Anticoagulant; prepared from aldehyde THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1995-03-21 US disclosed