SCHEMBL9965242

SCHEMBL9965242

CCC(C)(C)OCCC(C)(C)OS(C)(=O)=O

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL9965243 0.83 USP2 (0.32) ALDH1A1TSHR
SCHEMBL14527794 0.81 KDM4E (0.31) ALDH1A1TSHR
SCHEMBL14389454 0.80 TSHR (0.41) ALDH1A1TSHRTDP1
SCHEMBL19322614 0.74
SCHEMBL23431353 0.74
SCHEMBL20113570 0.73 TDP1 (0.37) ALDH1A1TSHRTDP1
SCHEMBL20976965 0.72 ALDH1A1 (0.38) ALDH1A1TSHRTDP1
SCHEMBL20977065 0.72 ALDH1A1 (0.38) ALDH1A1TSHRTDP1
SCHEMBL18389109 0.72 ALDH1A1 (0.57) ALDH1A1TSHRTDP1
SCHEMBL17022277 0.71 PRSS1 (0.33)

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
WO-2012080290-A1 NANOPARTICLE COMPOSITION AND ASSOCIATED METHODS THEREOF GENERAL ELECTRIC COMPANY (US) 2012-06-21 WO disclosed