SCHEMBL7606485

SCHEMBL7606485

O=S(=O)(O)C(O)c1ccc([Na])cc1

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
SRC P12931 2/20 0.35

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
SCHEMBL14355500 0.88 ALDH1A1 (0.43) ALDH1A1SRC
SCHEMBL14355486 0.77 GABBR2 (0.47) ALDH1A1
SCHEMBL13025222 0.77 HDAC3 (0.41) ALDH1A1SRC
SCHEMBL9810499 0.77 ALDH1A1 (0.36) ALDH1A1SRC
SCHEMBL332354 0.76 ALDH1A1 (0.59) ALDH1A1SRC
SCHEMBL11036281 0.74 ALDH1A1 (0.57) ALDH1A1SRC
SCHEMBL2718135 0.74 TSHR (0.50) ALDH1A1SRC
SCHEMBL7829339 0.73 HSD17B10 (0.40) ALDH1A1SRC
SCHEMBL23235645 0.72 CA12 (0.44) ALDH1A1SRC
SCHEMBL8469671 0.72 CA1 (0.47) 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
US-20020004578-A1 Polyester compositions containing polar chain terminatos SHELBY MARCUS DAVID (US) 2002-01-10 US claimed
US-20020004578-A1 Polyester compositions containing polar chain terminatos SHELBY MARCUS DAVID (US) 2002-01-10 US disclosed