SCHEMBL6861091

SCHEMBL6861091

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.52
MGAM O43451 1/20 0.52
SI P14410 1/20 0.52
MGAM2 Q2M2H8 1/20 0.52
ALDH1A1 P00352 6/20 0.43
ALOX15 P16050 3/20 0.43
CYP3A4 P08684 2/20 0.43
TSHR P16473 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
TRPA1 O75762 1/20 0.43
HSD17B10 Q99714 2/20 0.42
CHRM1 P11229 1/20 0.42
ADORA1 P30542 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 1/20 0.38
ESRRB O95718 1/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL17792657 0.86 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL13643227 0.86 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL1245716 0.86 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
Ethane SCHEMBL2862194 0.84 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL774101 0.84 TSHR (0.43) GAAMGAMSIMGAM2TSHR
SCHEMBL1878449 0.84 TSHR (0.43) GAAMGAMSIMGAM2TSHR
SCHEMBL186433 0.84 TSHR (0.43) GAAMGAMSIMGAM2TSHR
SCHEMBL12526876 0.83 CA1 (0.37) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL5015120 0.83 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL6626720 0.81 GAA (0.42) GAAMGAMSIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6800720-B2 BASE POLYMER CONTAINING AN ESTER GROUP TO BE DECOMPOSED TO A CARBOXYLIC ACID TO BECOME SOLUBLE IN THE DEVELOPER FOR A PHOTORESIST USED IN FINE WORKING OF A SEMICONDUCTOR USING ULTRAVIOLET RAY; HEAT RESISTANCE; OPTICS; ADHESION MITSUI CHEMICALS, INC. (JP) 2004-10-05 US disclosed
EP-0727422-B1 Process for producing 3-methyltetrahydrofuran MITSUBISHI GAS CHEMICAL CO (JP) 2002-12-04 EP disclosed
US-5618953-A Process for producing 3-methyltetrahydrofuran MITSUBISHI GAS CHEMICAL CO., INC. (JP) 1997-04-08 US disclosed
EP-0727422-A1 Process for producing 3-methyltetrahydrofuran MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1996-08-21 EP disclosed