SCHEMBL6879893

SCHEMBL6879893

CC(=O)OC(C)C(C)OC(=O)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
PRKCA P17252 1/20 0.39
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
TBXA2R P21731 1/20 0.35
GALR3 O60755 1/20 0.34
MAPT P10636 1/20 0.34
BLM P54132 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ELANE P08246 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
SCHEMBL5738261 0.83 TSHR (0.39) TSHRPRKCACHRM2CHRM4CHRM1
SCHEMBL9720211 0.82 TSHR (0.65) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL17751390 0.82 TSHR (0.65) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL10239103 0.82 TSHR (0.65) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL7606470 0.81 TSHR (0.46) TSHRPRKCACHRM2CHRM4CHRM1
SCHEMBL5986707 0.81 TSHR (0.46) TSHRPRKCACHRM2CHRM4CHRM1
SCHEMBL5986991 0.81 TSHR (0.46) TSHRPRKCACHRM2CHRM4CHRM1
SCHEMBL16077780 0.80 TSHR (0.41) TSHRPRKCACHRM2CHRM4CHRM1
SCHEMBL6894202 0.80 PRKCA (0.42) TSHRPRKCAELANE
SCHEMBL5988357 0.77 TSHR (0.42) TSHRPRKCACHRM2CHRM4CHRM1

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
US-6506243-B1 Industrial solvents; dialkyl carbonates, alkyl acetates, dioxolanes, pivalates, isobutyrates, nitriles EXXONMOBIL CHEMICAL PATENTS INC. 2003-01-14 US claimed
WO-2002064687-A1 ENVIRONMENTALLY PREFERRED FLUIDS AND FLUID BLENDS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2002-08-22 WO claimed
EP-1090085-A1 ENVIRONMENTALLY PREFERRED FLUIDS AND FLUID BLENDS EXXON CHEMICAL PATENTS INC. (US) 2001-04-11 EP claimed
WO-1999057217-A1 ENVIRONMENTALLY PREFERRED FLUIDS AND FLUID BLENDS EXXON CHEMICAL PATENTS INC. (US) 1999-11-11 WO claimed
US-6818049-B1 HALOGEN FREE INDUSTRIAL SOLVENT FORMULATION; LOW REACTIVITY TO OZONE FORMATION EXXONMOBIL CHEMICAL PATENTS INC. 2004-11-16 US disclosed
US-6506243-B1 Industrial solvents; dialkyl carbonates, alkyl acetates, dioxolanes, pivalates, isobutyrates, nitriles EXXONMOBIL CHEMICAL PATENTS INC. 2003-01-14 US disclosed
WO-2002064687-A1 ENVIRONMENTALLY PREFERRED FLUIDS AND FLUID BLENDS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2002-08-22 WO disclosed
US-20020002933-A1 Environmentally preferred fluids and fluid blends YEZRIELEV ALBERT ILYA (US) 2002-01-10 US disclosed
US-6280519-B1 Environmentally preferred fluids and fluid blends EXXON CHEMICAL PATENTS INC. 2001-08-28 US disclosed
EP-1090085-A1 ENVIRONMENTALLY PREFERRED FLUIDS AND FLUID BLENDS EXXON CHEMICAL PATENTS INC. (US) 2001-04-11 EP disclosed
WO-1999057217-A1 ENVIRONMENTALLY PREFERRED FLUIDS AND FLUID BLENDS EXXON CHEMICAL PATENTS INC. (US) 1999-11-11 WO disclosed