SCHEMBL6232003

SCHEMBL6232003

CCOC(=O)OC1(OC(=O)OCC)COC(C(C)C)OC1

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
SOAT1 P35610 1/20 0.35

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
SCHEMBL8397241 0.77 ATM (0.37) ALDH1A1
SCHEMBL8400790 0.71 ATM (0.33) ALDH1A1
SCHEMBL7932550 0.70 ALDH1A1 (0.55) ALDH1A1SOAT1
SCHEMBL11620948 0.69 CYP3A4 (0.37) ALDH1A1SOAT1
SCHEMBL6230967 0.68 ALDH1A1 (0.38) ALDH1A1SOAT1
SCHEMBL7058356 0.67 ALDH1A1 (0.50) ALDH1A1SOAT1
SCHEMBL8654680 0.67 ALDH1A1 (0.44) ALDH1A1SOAT1
SCHEMBL9362849 0.65 ALDH1A1 (0.46) ALDH1A1SOAT1
SCHEMBL6897358 0.65 ALDH1A1 (0.38) ALDH1A1SOAT1
SCHEMBL9708702 0.64 MAPK1 (0.30)

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-0866065-B1 Process for the preparation of 1,3-dioxane compounds DEGUSSA (DE) 2005-04-13 EP disclosed
EP-0866065-A1 Process for the preparation of 1,3-dioxane compounds HÜLS AKTIENGESELLSCHAFT (DE) 1998-09-23 EP disclosed