SCHEMBL5549844

SCHEMBL5549844

CC(C)(C)OOC(=O)OCCOCCOC(=O)OOC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
TSHR P16473 4/20 0.35
TP53 P04637 2/20 0.35
HIF1A Q16665 2/20 0.35
HSD17B10 Q99714 2/20 0.35
TDP1 Q9NUW8 1/20 0.34
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
THRB P10828 2/20 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
SCHEMBL8504051 0.89 ATM (0.40) ALDH1A1TSHRHSD17B10CYP4F2CYP4A11
SCHEMBL7619570 0.88 ALDH1A1 (0.33) ALDH1A1TSHRTP53HIF1AHSD17B10
SCHEMBL8504049 0.85 TSHR (0.32) TSHR
SCHEMBL5544364 0.85
SCHEMBL6535704 0.84 THRB (0.53) ALDH1A1TSHRHSD17B10TDP1THRB
SCHEMBL8528065 0.83 ALDH1A1 (0.32) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL8504224 0.83 HCAR2 (0.41) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL11063862 0.83 NAAA (0.38) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL847228 0.83 NAAA (0.38) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL6930648 0.82 TSHR (0.36) ALDH1A1TSHRTP53HIF1AHSD17B10

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0879224-B2 NOVEL POLY(MONOPEROXYCARBONATES) ARKEMA INC (US) 2013-12-25 EP disclosed
EP-1382596-B1 Novel poly (monoperoxycarbonates) ARKEMA INC (US) 2007-02-14 EP disclosed
EP-1382596-A1 Novel poly (monoperoxycarbonates) Atofina Chemicals, Inc. (US) 2004-01-21 EP disclosed
EP-0879224-B1 NOVEL POLY(MONOPEROXYCARBONATES) ATOFINA CHEM INC (US) 2003-10-22 EP disclosed
US-20030013815-A1 Process for preparation of elastomer modified polymer compositions with enhanced rubber phase volume fraction ATOFINA CHEMICALS, INC. 2003-01-16 US disclosed
EP-1233014-A1 ASYMMETRIC ORGANIC PEROXIDE, CROSSLINKING AGENT COMPRISING THE SAME, AND METHOD OF CROSSLINKING WITH THE SAME NOF CORPORATION (JP) 2002-08-21 EP disclosed
EP-1044994-A1 Process for preparation of elastomer modified polymer compositions with enhanced rubber phase volume fraction ATOFINA CHEMICALS, INC. (US) 2000-10-18 EP disclosed
EP-0879224-A4 NOVEL POLY(MONOPEROXYCARBONATES) ATOCHEM NORTH AMERICA ELF (US) 1999-05-26 EP disclosed
EP-0879224-A1 NOVEL POLY(MONOPEROXYCARBONATES) ELF ATOCHEM NORTH AMERICA, INC. (US) 1998-11-25 EP disclosed
US-5760149-A POLYMERIZATION INITIATORS, CURING AGENTS ELF ATOCHEM NORTH AMERICA, INC. (US) 1998-06-02 US disclosed
WO-1998007684-A1 NOVEL POLY(MONOPEROXYCARBONATES) ELF ATOCHEM NORTH AMERICA, INC. (US) 1998-02-26 WO disclosed