SCHEMBL3458205

SCHEMBL3458205

CC(C)CC1=C(S)CCCC1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.32

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
SCHEMBL1524683 0.66
SCHEMBL15360277 0.65
SCHEMBL7739526 0.64 CYP2D6 (0.33) HTT
SCHEMBL7741087 0.64 CYP2D6 (0.33) HTT
SCHEMBL7732834 0.64 CYP2D6 (0.33) HTT
SCHEMBL1409045 0.64 CYP2D6 (0.33) HTT
SCHEMBL7739844 0.64 CYP2D6 (0.33) HTT
SCHEMBL3633722 0.63 ALDH1A1 (0.33)
SCHEMBL3634597 0.62 TRPA1 (0.31)
SCHEMBL170561 0.60

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-2266421-A1 Use of certain isopropylmethylcyclohexenthiols as odorous and/or aroma substances Symrise AG (DE) 2010-12-29 EP disclosed
EP-2266421-A1 Use of certain isopropylmethylcyclohexenthiols as odorous and/or aroma substances Symrise AG (DE) 2010-12-29 EP disclosed