SCHEMBL6690894

SCHEMBL6690894

CCC(C)(C)OOC(C)(C)C(C)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL5008890 0.82
SCHEMBL5356783 0.80 ALDH1A1 (0.39) ALDH1A1TSHRTDP1
SCHEMBL11003259 0.76 ALDH1A1 (0.36) ALDH1A1TSHRTDP1
SCHEMBL2027418 0.76 TSHR (0.36) ALDH1A1TSHRTDP1
SCHEMBL22437 0.76 TSHR (0.56) ALDH1A1TSHRTDP1
SCHEMBL7634731 0.73 ALDH1A1 (0.38) ALDH1A1TSHRTDP1
Propane SCHEMBL325596 0.73 TSHR (0.53) ALDH1A1TSHRTDP1
SCHEMBL28291040 0.73 TSHR (0.53) ALDH1A1TSHRTDP1
SCHEMBL43867 0.73 TSHR (0.53) ALDH1A1TSHRTDP1
SCHEMBL29280589 0.70 TSHR (0.50) ALDH1A1TSHRTDP1

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-1447404-A1 Improved cyclic ketone peroxide compositions Akzo Nobel N.V. (NL) 2004-08-18 EP disclosed