SCHEMBL503795

SCHEMBL503795

C=CCOC(=O)CC(O)(CC(=O)OC(CC(=O)OCC)(CC(=O)OCC)C(=O)OCC)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 1/20 0.35
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
SCHEMBL8603567 0.88 TSHR (0.44) SMN1; SMN2TSHRTDP1
SCHEMBL2872413 0.85 ALDH1A1 (0.44) TSHR
SCHEMBL27219403 0.84 ALDH1A1 (0.43) TSHR
SCHEMBL27677366 0.82 ALDH1A1 (0.31)
SCHEMBL2576139 0.80 ALDH1A1 (0.43) SMN1; SMN2TSHRTDP1
SCHEMBL8603572 0.77 TSHR (0.40) SMN1; SMN2TSHRTDP1
SCHEMBL173250 0.76 ALDH1A1 (0.54) SMN1; SMN2TSHRTDP1
Triethyl Citrate SCHEMBL30812452 0.75 ALDH1A1 (0.41)
SCHEMBL73474 0.75 ALDH1A1 (0.48) SMN1; SMN2
SCHEMBL1538354 0.74 ALDH1A1 (0.38) SMN1; SMN2TSHRTDP1

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
US-20120027695-A1 WATER-ABSORBENT ADHESIVE COMPOSITIONS AND ASSOCIATED METHODS OF MANUFACTURE AND USE CORIUM INTERNATIONAL, INC. (US) 2012-02-02 US disclosed