SCHEMBL7070563

SCHEMBL7070563

OCCN(CCO)C(CO)(CCO)CCO

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
MAPT P10636 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
SCHEMBL4580681 0.94 ALDH1A1 (0.41) ALDH1A1MAPT
SCHEMBL6445642 0.85 ALDH1A1 (0.52) ALDH1A1MAPT
SCHEMBL35757 0.85 ALDH1A1 (0.52) ALDH1A1MAPT
Hydrochloric Acid SCHEMBL472040 0.82 ALDH1A1 (0.50) ALDH1A1MAPT
Methane SCHEMBL4375438 0.82 ALDH1A1 (0.50) ALDH1A1MAPT
Methane SCHEMBL23042745 0.82 ALDH1A1 (0.50) ALDH1A1MAPT
SCHEMBL17200965 0.82 ALDH1A1 (0.50) ALDH1A1MAPT
SCHEMBL8603798 0.82 ALDH1A1 (0.50) ALDH1A1MAPT
SCHEMBL29504209 0.82 ALDH1A1 (0.50) ALDH1A1MAPT
SCHEMBL11238646 0.82 ALDH1A1 (0.31) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0891554-B1 METHOD OF MEASURING BILIRUBIN BECKMAN COULTER INC (US) 2003-06-18 EP claimed
US-5700653-A THIOL COMPOUND, FREE RADICAL SCAVENGER STABILIZER, MAGNESIUM COMPOUND, AND LIQUID BECKMAN INSTRUMENTS, INC. (US) 1997-12-23 US claimed