SCHEMBL9738158

SCHEMBL9738158

CC(=O)CC(C)SC1(C)CCCO1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL8918323 0.74
SCHEMBL8916520 0.67 CYP2D6 (0.30)
SCHEMBL8990091 0.67 CYP2D6 (0.30)
SCHEMBL11638215 0.65
SCHEMBL13444602 0.63
SCHEMBL8918330 0.62
SCHEMBL9658533 0.61 GLS (0.40) ALDH1A1
SCHEMBL401783 0.60
SCHEMBL8918378 0.60
SCHEMBL23266335 0.60 GLS (0.36) 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-5145703-A Adding to foods to enhance flavor HAARMANN & REIMER (DE) 1992-09-08 US disclosed
EP-0459198-A2 Thioalkanones, procedure for their preparation and their use HAARMANN & REIMER GMBH (DE) 1991-12-04 EP disclosed