SCHEMBL11409042

SCHEMBL11409042

OCc1ccc(CN(Cc2ccc(CO)o2)Cc2ccc(CO)o2)o1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
TDP1 Q9NUW8 3/20 0.45
TSHR P16473 2/20 0.45
POLB P06746 2/20 0.41
CYP2A6 P11509 2/20 0.39
ACHE P22303 5/20 0.39
G6PC1 P35575 1/20 0.39
KDM4E B2RXH2 4/20 0.37
MAPT P10636 2/20 0.37
BCHE P06276 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.33

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
Hydrochloric Acid SCHEMBL11410866 0.98 ALDH1A1 (0.43) ALDH1A1TDP1TSHRPOLBCYP2A6
SCHEMBL7400838 0.87 ALDH1A1 (0.47) ALDH1A1TDP1TSHRPOLBACHE
SCHEMBL183551 0.84
SCHEMBL7317961 0.82 ALDH1A1 (0.40) ALDH1A1TDP1TSHRPOLBCYP2A6
SCHEMBL11479635 0.81 ACHE (0.45) ALDH1A1TDP1TSHRACHEG6PC1
SCHEMBL1733144 0.81 ACHE (0.61) TDP1CYP2A6ACHEBCHE
Hydrochloric Acid SCHEMBL3081249 0.79 ACHE (0.59) CYP2A6ACHEBCHE
SCHEMBL11210299 0.79 ACHE (0.44) ALDH1A1TDP1TSHRACHEG6PC1
SCHEMBL11359610 0.76 ACHE (0.41) ALDH1A1TDP1TSHRPOLBCYP2A6
SCHEMBL901053 0.76 ALDH1A1 (0.50) ALDH1A1TDP1TSHRPOLBCYP2A6

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
US-4219487-A Tris[5-hydroxymethylfurfuryl]amine and process of preparation THE QUAKER OATS COMPANY (US) 1980-08-26 US claimed
US-4219487-A Tris[5-hydroxymethylfurfuryl]amine and process of preparation THE QUAKER OATS COMPANY (US) 1980-08-26 US disclosed
US-4219487-A Tris[5-hydroxymethylfurfuryl]amine and process of preparation THE QUAKER OATS COMPANY (US) 1980-08-26 US disclosed
US-4219487-A Tris[5-hydroxymethylfurfuryl]amine and process of preparation THE QUAKER OATS COMPANY (US) 1980-08-26 US disclosed