SCHEMBL8663640

SCHEMBL8663640

CC(OC(C)(C)C)C(=O)C(=O)C(C)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 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
SCHEMBL6665862 0.80 TP53 (0.38) ALDH1A1
SCHEMBL11989016 0.80 TSHR (0.33)
SCHEMBL4311782 0.80 TP53 (0.38) ALDH1A1
SCHEMBL11128872 0.80
SCHEMBL2310819 0.80 TP53 (0.38) ALDH1A1
SCHEMBL13203577 0.78
SCHEMBL7095714 0.78 LMNA (0.35)
SCHEMBL19483348 0.78
SCHEMBL13538204 0.76 SMN1; SMN2 (0.41) ALDH1A1
SCHEMBL12057006 0.76 SMN1; SMN2 (0.41) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0668850-B1 OXYGENATED ALIPHATIC COMPOUNDS AND THEIR USE AS INTERMEDIATES IN THE PREPARATION OF 4-HYDROXY-2,5-DIMETHYL-3(2H)-FURANONE FIRMENICH & CIE (CH) 1998-12-09 EP disclosed
US-5580996-A Oxygen-containing aliphatic compounds and their use as intermediates for the preparation of 4-hydroxy-2, 5-dimethyl-3(2H)-furanone FIRMENICH SA (CH) 1996-12-03 US disclosed
EP-0668850-A1 OXYGENATED ALIPHATIC COMPOUNDS AND THEIR USE AS INTERMEDIATES IN THE PREPARATION OF 4-HYDROXY-2,5-DIMETHYL-3(2H)-FURANONE FIRMENICH SA (CH) 1995-08-30 EP disclosed
WO-1995007876-A1 OXYGENATED ALIPHATIC COMPOUNDS AND THEIR USE AS INTERMEDIATES IN THE PREPARATION OF 4-HYDROXY-2,5-DIMETHYL-3(2H)-FURANONE FIRMENICH S.A. (CH) 1995-03-23 WO disclosed