SCHEMBL1644094

SCHEMBL1644094

O=C(OCC1CO1)c1cccc(Br)c1C(=O)OCC1CO1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 1/20 0.42
MGLL Q99685 4/20 0.41
RAB9A P51151 2/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.37

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
SCHEMBL20239041 0.90 DHFR (0.55) DHFRL3MBTL1MAPK1MGLL
SCHEMBL8847030 0.87 DHFR (0.53) DHFRL3MBTL1MAPK1MGLLRAB9A
SCHEMBL1714993 0.85 DHFR (0.54) DHFRL3MBTL1MAPK1MGLL
SCHEMBL471847 0.84 DHFR (0.51) DHFRL3MBTL1MAPK1MGLLRAB9A
SCHEMBL2779445 0.83 DHFR (0.48) DHFRL3MBTL1MAPK1MGLL
SCHEMBL7727735 0.82 DHFR (0.49) DHFRL3MBTL1MAPK1MGLL
SCHEMBL29374975 0.81 DHFR (0.59) DHFRL3MBTL1MAPK1MGLL
SCHEMBL21801767 0.81 DHFR (0.59) DHFRL3MBTL1MAPK1MGLL
SCHEMBL121520 0.81 DHFR (0.59) DHFRL3MBTL1MAPK1MGLL
SCHEMBL4146344 0.80 DHFR (0.62) DHFRL3MBTL1MAPK1MGLL

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-2256163-B1 EPOXY RESIN COMPOSITION, FIBER-REINFORCED COMPOSITE MATERIAL AND METHOD FOR PRODUCING THE SAME TORAY INDUSTRIES (JP) 2018-11-14 EP disclosed
US-20160159993-A1 EPOXY RESIN COMPOSITION, FIBER-REINFORCED COMPOSITE MATERIAL, AND METHOD FOR PRODUCING THE SAME TORAY INDUSTRIES, INC. (JP) 2016-06-09 US disclosed
US-20110097568-A1 EPOXY RESIN COMPOSITION, FIBER-REINFORCED COMPOSITE MATERIAL, AND METHOD FOR PRODUCING THE SAME TORAY INDUSTRIES, INC 2011-04-28 US disclosed
EP-2256163-A1 EPOXY RESIN COMPOSITION, FIBER-REINFORCED COMPOSITE MATERIAL AND METHOD FOR PRODUCING THE SAME Toray Industries, Inc. (JP) 2010-12-01 EP disclosed