SCHEMBL5596547

SCHEMBL5596547

COP(=O)(OC)OCC(=O)CCCCC(C)=O

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 3/20 0.36
ACHE P22303 1/20 0.32
ALDH1A1 P00352 2/20 0.32

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
SCHEMBL5596742 0.96 ACHE (0.32) PAOXACHEALDH1A1
SCHEMBL10357165 0.85 KMT2A (0.42) ALDH1A1
SCHEMBL11513158 0.84 KMT2A (0.46) ALDH1A1
SCHEMBL11432786 0.84 KMT2A (0.46) ALDH1A1
SCHEMBL6991478 0.78 MGAM (0.35) ACHEALDH1A1
SCHEMBL27441202 0.76 PAOX (0.44) PAOXACHEALDH1A1
SCHEMBL11908881 0.74 ALDH1A1 (0.39) ACHEALDH1A1
SCHEMBL18307260 0.74 PAOX (0.48) PAOXACHEALDH1A1
SCHEMBL30500548 0.72 ALDH1A1 (0.34) ACHEALDH1A1
SCHEMBL13033034 0.71 ALDH1A1 (0.41) PAOXACHEALDH1A1

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-1858351-A1 FLAVORING INGREDIENTS FIRMENICH SA (CH) 2007-11-28 EP disclosed
WO-2006092749-A1 FLAVORING INGREDIENTS FIRMENICH SA (CH) 2006-09-08 WO disclosed