SCHEMBL9717600

SCHEMBL9717600

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
ALDH1A1 P00352 3/20 0.36
TRPA1 O75762 1/20 0.36
TSHR P16473 1/20 0.33
HSD11B1 P28845 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
CYP1A2 P05177 1/20 0.32
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ALOX15 P16050 1/20 0.30
SOAT1 P35610 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 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 0.96 GAA (0.41) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL1469705 0.91 GAA (0.38) GAAMGAMSIMGAM2ALDH1A1
Dodecane SCHEMBL12471573 0.88 NAAA (0.41) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL29165628 0.86 GAA (0.39) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL29165630 0.86 GAA (0.39) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL9625650 0.82 GAA (0.39) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL23007 0.81 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL12501779 0.80 GAA (0.40) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL21952746 0.80 GAA (0.40) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL9148867 0.79 TSHR (0.37) 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
EP-0182079-B1 THERMALLY STABLE ADHESIVE National Starch and Chemical Investment Holding Corporation (US) 1992-04-22 EP disclosed
US-4692272-A CROSSLINKING AGENT AND CATALYST STAUFFER CHEMICAL COMPANY (US) 1987-09-08 US disclosed
US-4604230-A BLEND OF A POLYIMIDE, TACKIFIER, EPOXY RESIN, HARDENER, CATALYST, AND CROSSLINKING AGENT STAUFFER CHEMICAL COMPANY (US) 1986-08-05 US disclosed
EP-0182079-A2 Thermally stable adhesive National Starch and Chemical Investment Holding Corporation (US) 1986-05-28 EP disclosed