SCHEMBL6232263

SCHEMBL6232263

CC(=O)C(C(=O)CCO)C(=O)CCO

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL11727566 0.78 CES1 (0.43) ALDH1A1
SCHEMBL15657384 0.72 ALDH1A1 (0.56) ALDH1A1
SCHEMBL11556450 0.72 CES1 (0.43) ALDH1A1
SCHEMBL195750 0.71
SCHEMBL1802349 0.71 ALDH1A1 (0.44) ALDH1A1
SCHEMBL15361606 0.70 CES2 (0.59) ALDH1A1
SCHEMBL9475366 0.69
SCHEMBL3871245 0.69 TSHR (0.35)
SCHEMBL5280606 0.69 MGAM (0.39) ALDH1A1
SCHEMBL233035 0.67 LMNA (0.46) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0866065-B1 Process for the preparation of 1,3-dioxane compounds DEGUSSA (DE) 2005-04-13 EP disclosed
US-5932747-A Method for preparing 1,3-dioxane compounds HUELS AKTIENGESELLSCHAFT (DE) 1999-08-03 US disclosed
EP-0866065-A1 Process for the preparation of 1,3-dioxane compounds HÜLS AKTIENGESELLSCHAFT (DE) 1998-09-23 EP disclosed