SCHEMBL5392129

SCHEMBL5392129

O=S(=O)(O)OCC(CO)(CO)CO

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37
CA2 P00918 1/20 0.32

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
SCHEMBL7897562 0.95 ALDH1A1 (0.37) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
Benzene SCHEMBL11506001 0.93 ALDH1A1 (0.33) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL31471673 0.91 ALDH1A1 (0.32) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL9460150 0.86 CA2 (0.37) CA2
Ammonia Solution, Strong SCHEMBL9460243 0.83 CA2 (0.35) CA2
SCHEMBL7899715 0.81
SCHEMBL31108149 0.77 CA2 (0.52) CA2
Sulfuric Acid SCHEMBL10712295 0.76 ALDH1A1 (0.33) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL8721084 0.75
Sulfuric Acid SCHEMBL29197574 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7208456-B2 Surfactant blends for removing oligomer deposits from polyester fibers and polyester processing equipment NICCA USA, INC. (US) 2007-04-24 US disclosed
US-20050215444-A1 Surfactant blends for removing oligomer deposits from polyester fibers and polyester processing equipment NICCA U.S.A., INC. 2005-09-29 US disclosed
US-6911421-B2 Surfactant blends for removing oligomer deposits from polyester fibers and polyester processing equipment NICCA USA, INC. (US) 2005-06-28 US disclosed
US-20040087458-A1 Surfactant blends for removing oligomer deposits from polyester fibers and polyester processing equipment NICCA U.S.A., INC. 2004-05-06 US disclosed
US-4948535-A REACTING WITH SULFUR TRIOXIDE IN NITROGEN-CONTAINING SOLVENT HOECHST AKTIENGESELLSCHAFT (DE) 1990-08-14 US disclosed