SCHEMBL9246782

SCHEMBL9246782

CC(C)(CO)CO.CC(C)(O)CC(C)(C)O

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL1066136 0.87 ALDH1A1 (0.39) ALDH1A1
SCHEMBL229715 0.82 ALDH1A1 (0.35) ALDH1A1
SCHEMBL19621 0.82
SCHEMBL38006 0.82
SCHEMBL1003447 0.79 ALDH1A1 (0.35) ALDH1A1
Bromide SCHEMBL8990184 0.78 ALDH1A1 (0.33) ALDH1A1
SCHEMBL9650455 0.78
SCHEMBL2277021 0.78
SCHEMBL31172630 0.78
SCHEMBL7650639 0.78 ALDH1A1 (0.33) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5399728-A From triglyceride, epoxide, sodium or potassium salt of aliphatic polyol, fat substitutes ARCO CHEMICAL TECHNOLOGY, L.P. (US) 1995-03-21 US disclosed
EP-0619291-A1 Process for the preparation of highly esterified alkoxylated polyol compositions ARCO CHEMICAL TECHNOLOGY, INC. (US) 1994-10-12 EP disclosed