SCHEMBL5488576

SCHEMBL5488576

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

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
TDP1 Q9NUW8 2/20 0.42
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL27338362 0.92 TSHR (0.52) TSHRTDP1ALDH1A1
SCHEMBL27338468 0.92 TSHR (0.52) TSHRTDP1ALDH1A1
SCHEMBL1421407 0.92 TSHR (0.52) TSHRTDP1ALDH1A1
SCHEMBL27338363 0.89 TSHR (0.55) TSHRTDP1ALDH1A1
SCHEMBL10459151 0.89 TSHR (0.53) TSHRTDP1ALDH1A1
SCHEMBL770960 0.89 TSHR (0.53) TSHRTDP1ALDH1A1
SCHEMBL27338376 0.89 TSHR (0.55) TSHRTDP1ALDH1A1
SCHEMBL11501790 0.89 TSHR (0.53) TSHRTDP1ALDH1A1
SCHEMBL74163 0.89 TSHR (0.55) TSHRTDP1ALDH1A1
Hydrogen Peroxide SCHEMBL28202719 0.83 TSHR (0.57) TSHRTDP1ALDH1A1

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-0985000-B1 CROSS-LINKING COMPOSITIONS AKZO NOBEL NV (NL) 2007-08-22 EP disclosed
US-6610768-B1 Softening agent for improving blending of the peroxide in a thermoplastic resin or elastomer; excellent storage stability, without exudation of peroxide; crosslinking of EPM and/or EPDM AKZO NOBEL N. V. (NL) 2003-08-26 US disclosed