SCHEMBL2779445

SCHEMBL2779445

O=C(OCC1CO1)c1ccc(C(=O)OCC2CO2)c(C(=O)OCC2CO2)c1C(=O)OCC1CO1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.48
MGLL Q99685 5/20 0.44
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPK1 P28482 1/20 0.43

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) DHFRMGLLALDH1A1TP53CYP3A4
SCHEMBL1177370 0.88 DHFR (0.43) DHFRMGLLALDH1A1TP53CYP3A4
SCHEMBL29763757 0.87 DHFR (0.44) DHFRMGLLALDH1A1TP53CYP3A4
SCHEMBL471847 0.84 DHFR (0.51) DHFRMGLLALDH1A1L3MBTL1MAPK1
SCHEMBL29678730 0.84 DHFR (0.51) DHFRMGLLALDH1A1L3MBTL1MAPK1
SCHEMBL471853 0.84 DHFR (0.51) DHFRMGLLALDH1A1L3MBTL1MAPK1
SCHEMBL29374975 0.84 DHFR (0.59) DHFRMGLLALDH1A1L3MBTL1MAPK1
SCHEMBL121520 0.84 DHFR (0.59) DHFRMGLLALDH1A1L3MBTL1MAPK1
SCHEMBL21801767 0.84 DHFR (0.59) DHFRMGLLALDH1A1L3MBTL1MAPK1
SCHEMBL157854 0.83 DHFR (0.48) DHFRMGLLALDH1A1TP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024043285-A1 RESIN COMPOSITION, COMPOSITE REINFORCING MATERIAL, MOLDED BODY, AND METHOD FOR RECOVERING REINFORCING FIBERS FROM COMPOSITE REINFORCING MATERIAL 旭化成株式会社 2024-02-29 WO disclosed
US-20100154294-A1 Additives for Fuel Oils TACK ROBERT D 2010-06-24 US disclosed
EP-2199377-A1 Additives for fuel oils Infineum International Limited (GB) 2010-06-23 EP disclosed