SCHEMBL6923587

SCHEMBL6923587

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

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.31
TSHR P16473 3/20 0.31
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
HSD17B10 Q99714 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
SCHEMBL11516315 0.94
SCHEMBL11517380 0.88 CYP4F2 (0.36)
SCHEMBL11514261 0.87 ATM (0.31)
SCHEMBL11514688 0.85 NAAA (0.33) ALDH1A1TSHR
SCHEMBL11516944 0.85 NAAA (0.33) ALDH1A1TSHR
SCHEMBL6930648 0.83 TSHR (0.36) ALDH1A1TSHRTP53HIF1AHSD17B10
SCHEMBL8359100 0.82 ATM (0.44) ALDH1A1TSHR
SCHEMBL11515295 0.82
SCHEMBL5549844 0.80 ALDH1A1 (0.35) ALDH1A1TSHRTP53HIF1AHSD17B10
SCHEMBL6929790 0.80 ALDH1A1 (0.34) 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 3 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 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-4136105-A POLYMERIZATION CATALYSTS, CURING AGENTS, FOR UNSATURATED POLYESTERS PENNWALT CORPORATION (US) 1979-01-23 US disclosed