SCHEMBL10657658

SCHEMBL10657658

CC(C)(O)CSCC(C)(C)O

nearest known ligand 0.44

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL12948670 0.83
SCHEMBL9519271 0.78
SCHEMBL10680266 0.74 CYP2D6 (0.52) ALDH1A1
SCHEMBL7296255 0.74 CES1 (0.42) ALDH1A1
SCHEMBL5967430 0.74
SCHEMBL4970555 0.73 ALDH1A1 (0.32) ALDH1A1
SCHEMBL4511338 0.67 TSHR (0.36)
Amylene Hydrate SCHEMBL10721 0.61
Amylene Hydrate SCHEMBL2013421 0.61 ALDH1A1 (0.54) ALDH1A1
SCHEMBL12478173 0.61

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-4745175-A EMULSIONS OF CRUDE OILS IN WATER BAYER AKTIENGESELLSCHAFT (DE) 1988-05-17 US disclosed
EP-0192999-A1 Use of condensation products of thioalkylene oxides or polythioalkylene oxides with polyalkylene oxides to break water-in-oil emulsions BAYER AG (DE) 1986-09-03 EP disclosed