SCHEMBL1469705

SCHEMBL1469705

CCOC(=O)CC(C)(OOC(C)(C)C)OOC(C)(C)C.CCOC(=O)CC(C)(OOC(C)(C)CC)OOC(C)(C)CC

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
MGAM O43451 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
ALDH1A1 P00352 3/20 0.35
TRPA1 O75762 1/20 0.35
HSD11B1 P28845 1/20 0.33
TSHR P16473 1/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
CYP1A2 P05177 2/20 0.32
LMNA P02545 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
HTT P42858 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
SCHEMBL24168 0.95 GAA (0.41) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL9717600 0.91 GAA (0.39) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL23007 0.91 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL12501779 0.89 GAA (0.40) GAAMGAMSIMGAM2ALDH1A1
Dodecane SCHEMBL12471573 0.87 NAAA (0.41) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL29165628 0.84 GAA (0.39) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL29165630 0.84 GAA (0.39) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL11655472 0.83 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1
Dodecane SCHEMBL12471509 0.83 NAAA (0.43) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL6161494 0.82 CA2 (0.37) TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8342669-B2 Reactive ink components and methods for forming images using reactive inks XEROX CORPORATION (US) 2013-01-01 US claimed
US-20110070372-A1 Reactive Ink Components And Methods For Forming Images Using Reactive Inks XEROX CORPORATION (US) 2011-03-24 US claimed
US-7699918-B2 Reactive ink components and methods for forming images using reactive inks XEROX CORPORATION (US) 2010-04-20 US claimed
US-20080295731-A1 REACTIVE INK COMPONENTS AND METHODS FOR FORMING IMAGES USING REACTIVE INKS XEROX CORPORATION (US) 2008-12-04 US claimed
US-8342669-B2 Reactive ink components and methods for forming images using reactive inks XEROX CORPORATION (US) 2013-01-01 US disclosed
US-20110070372-A1 Reactive Ink Components And Methods For Forming Images Using Reactive Inks XEROX CORPORATION (US) 2011-03-24 US disclosed
US-7699918-B2 Reactive ink components and methods for forming images using reactive inks XEROX CORPORATION (US) 2010-04-20 US disclosed
US-20080295731-A1 REACTIVE INK COMPONENTS AND METHODS FOR FORMING IMAGES USING REACTIVE INKS XEROX CORPORATION (US) 2008-12-04 US disclosed
US-6114076-A Reactive melt mixing processes XEROX CORPORATION (US) 2000-09-05 US disclosed