SCHEMBL2137116

SCHEMBL2137116

O=C1CC(CC2CO2)=CC=C1C(=O)OCC1CO1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 5/20 0.37
DHFR P00374 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 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
SCHEMBL28916643 0.71 ALDH1A1 (0.44) MGLLDHFRALDH1A1TP53CYP3A4
SCHEMBL6812293 0.68 TP53 (0.31) TP53
SCHEMBL6951367 0.67 ALDH1A1 (0.47) MGLLDHFRALDH1A1TP53CYP3A4
SCHEMBL157854 0.67 DHFR (0.48) MGLLDHFRALDH1A1TP53CYP3A4
SCHEMBL38933 0.67 MGLL (0.47) MGLLDHFRALDH1A1TP53CYP3A4
SCHEMBL22357194 0.67 MGLL (0.47) MGLLDHFRALDH1A1TP53CYP3A4
Benzoic Acid 2,3-Epoxypropyl Ester SCHEMBL5604855 0.66 NPC1 (0.56) MGLL
Benzoic Acid 2,3-Epoxypropyl Ester SCHEMBL21245419 0.66 NPC1 (0.56) MGLL
Benzoic Acid 2,3-Epoxypropyl Ester SCHEMBL133986 0.66 NPC1 (0.56) MGLL
SCHEMBL22357181 0.66 MGLL (0.51) MGLL

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
EP-2036938-B1 PROCESS FOR PRODUCTION OF OXYALKYLENE POLYMER AND CURABLE COMPOSITION ASAHI GLASS CO LTD (JP) 2012-12-26 EP disclosed
EP-2053092-B1 POLYMER COMPOSITION ASAHI GLASS CO LTD (JP) 2012-12-12 EP disclosed
US-7906578-B2 A linear oxyalkylene polymer having at least two types of hydrolyzable silicon end groups, preferably a trimethoxysilyl group and a tri(C2-6)alkoxysilyl group, a curing agent; improved elongation after curing while maintaining high strength; rubber elasticity ASAHI GLASS COMPANY, LIMITED (JP) 2011-03-15 US disclosed
US-20090124765-A1 POLYMER COMPOSITION ASAHI GLASS COMPANY, LIMITED (JP) 2009-05-14 US disclosed
US-20090118411-A1 METHOD FOR PRODUCING OXYALKYLENE POLYMER AND CURABLE COMPOSITION ASAHI GLASS COMPANY, LIMITED (JP) 2009-05-07 US disclosed
EP-2053092-A1 POLYMER COMPOSITION Asahi Glass Company, Limited (JP) 2009-04-29 EP disclosed
EP-2036938-A1 PROCESS FOR PRODUCTION OF OXYALKYLENE POLYMER AND CURABLE COMPOSITION Asahi Glass Company, Limited (JP) 2009-03-18 EP disclosed
US-20080262143-A1 ROOM-TEMPERATURE-CURABLE COMPOSITION ASAHI GLASS COMPANY, LIMITED (JP) 2008-10-23 US disclosed
EP-1964878-A1 ROOM-TEMPERATURE-CURABLE COMPOSITION Asahi Glass Company, Limited (JP) 2008-09-03 EP disclosed