SCHEMBL6166517

SCHEMBL6166517

CCC(C)(C)OOCC(C)c1ccc(C(C)COOC(C)(C)CC)cc1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TSHR P16473 2/20 0.31
GRIA4 P48058 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL16703326 0.86
SCHEMBL7937714 0.86 HDAC4 (0.35) RIPK1
SCHEMBL361156 0.82 RIPK1 (0.35) RIPK1ALDH1A1TSHRGRIA4
SCHEMBL6165853 0.81 TSHR (0.36) RIPK1TSHR
SCHEMBL16703274 0.80
SCHEMBL4084906 0.77 IDO1 (0.37) RIPK1GRIA4
SCHEMBL20302226 0.75 GBA1 (0.35) ALDH1A1
SCHEMBL1077953 0.73 RIPK1 (0.48) RIPK1ALDH1A1TSHRTDP1
SCHEMBL18301597 0.73 ALDH1A1 (0.36) ALDH1A1TSHRTDP1
SCHEMBL4187976 0.72 GAA (0.40) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050239968-A1 Process for preparing graft polyols using enol ethers as reaction moderators BASF CORPORATION 2005-10-27 US disclosed
EP-1589051-A1 Process for preparing graft polyols using enol ethers as reaction moderators BASF Corporation (US) 2005-10-26 EP disclosed
EP-1192198-A1 PROCESS FOR MAKING GRAFT POLYOLS USING T-AMYL PEROXY FREE RADICAL INITIATOR BASF CORPORATION (US) 2002-04-03 EP disclosed
US-6172164-B1 POLYMERIZING AN ETHYLENICALLY UNSATURATED MONOMER WITH A MACROMER WITH UNSATURATION IN PRESENCE OF FREE RADICAL INITIATOR BLEND OF TERT-AMYL PEROXY (2-ETHYLHEXANOATE AND 1,1'BIS(TERT-AMYL PEROXY) CYCLOHEXANE BASF CORPORATION 2001-01-09 US disclosed
WO-2000059971-A1 PROCESS FOR MAKING GRAFT POLYOLS USING T-AMYL PEROXY FREE RADICAL INITIATOR BASF CORPORATION (DE) 2000-10-12 WO disclosed