SCHEMBL6930648

SCHEMBL6930648

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

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.36
ALDH1A1 P00352 5/20 0.36
THRB P10828 2/20 0.35
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
TP53 P04637 2/20 0.32
HIF1A Q16665 2/20 0.32
HSD17B10 Q99714 1/20 0.32
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
SCHEMBL5545986 0.93 ALDH1A1 (0.32) TSHRALDH1A1THRBCYP4F2CYP4A11
SCHEMBL8529872 0.92 ATM (0.38) TSHRALDH1A1THRBCYP4F2CYP4A11
SCHEMBL6534616 0.88 THRB (0.51) TSHRALDH1A1THRB
SCHEMBL8529870 0.87 ALDH1A1 (0.31) TSHRALDH1A1THRB
SCHEMBL8530751 0.87 ALDH1A1 (0.42) TSHRALDH1A1THRB
SCHEMBL8505385 0.86 HCAR2 (0.38) TSHRALDH1A1TDP1
SCHEMBL6929790 0.85 ALDH1A1 (0.34) TSHRALDH1A1THRBCYP4F2CYP4A11
SCHEMBL5546109 0.84 THRB (0.48) THRB
SCHEMBL5550730 0.84 THRB (0.48) THRB
SCHEMBL6923587 0.83 ALDH1A1 (0.31) TSHRALDH1A1TP53HIF1AHSD17B10

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-20030013815-A1 Process for preparation of elastomer modified polymer compositions with enhanced rubber phase volume fraction ATOFINA CHEMICALS, INC. 2003-01-16 US claimed
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 claimed
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-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
US-4777230-A HIGH SOLID COATINGS PENNWALT CORPORATION (US) 1988-10-11 US disclosed