SCHEMBL15345893

SCHEMBL15345893

CCC(C)(C)OC.CCOC(C)(C)C

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.68
TSHR P16473 1/20 0.68
TDP1 Q9NUW8 1/20 0.68

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
SCHEMBL7155207 0.83 ALDH1A1 (0.53) ALDH1A1TSHRTDP1
SCHEMBL67637 0.83
SCHEMBL27173955 0.83 TSHR (1.00) ALDH1A1TSHRTDP1
Water SCHEMBL20578221 0.80 TSHR (0.93) ALDH1A1TSHRTDP1
Methoxymethane SCHEMBL28021870 0.80 TSHR (0.93) ALDH1A1TSHRTDP1
SCHEMBL27850925 0.80
Hydrogen Sulfide SCHEMBL27511962 0.80
SCHEMBL42870 0.80
Methyl Alcohol SCHEMBL4451952 0.77
SCHEMBL208586 0.74

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2075267-B1 Process for producing polydienes BRIDGESTONE CORP (JP) 2013-10-30 EP disclosed