SCHEMBL10324867

SCHEMBL10324867

NC(CC(=O)O)C(CC(=O)O)(CC(=O)O)NCC(=O)O.[Fe].[NaH]

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 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
SCHEMBL15253562 0.96 TDP1 (0.32) TDP1
Ammonia Solution, Strong SCHEMBL9615775 0.96 TDP1 (0.37) TDP1
Water SCHEMBL9324181 0.96 TDP1 (0.32) TDP1
Water SCHEMBL9705176 0.96 TDP1 (0.32) TDP1
SCHEMBL284822 0.96 TDP1 (0.34) TDP1
Water SCHEMBL7794241 0.94 TDP1 (0.33) TDP1
Water SCHEMBL3638107 0.94 TDP1 (0.33) TDP1
Ammonia Solution, Strong SCHEMBL2157732 0.94 TDP1 (0.38) TDP1
Ammonia Solution, Strong SCHEMBL3115882 0.94 TDP1 (0.38) TDP1
Ammonia Solution, Strong SCHEMBL5718884 0.93 TDP1 (0.37) TDP1

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-20120288531-A1 PHARMACEUTICAL COMPOSITIONS FOR DELIVERY OF FERRIC IRON COMPOUNDS, AND METHODS OF USE THEREOF CHIASMA, INC. 2012-11-15 US disclosed
WO-2012097155-A1 IMPROVED PHARMACEUTICAL COMPOSITIONS FOR DELIVERY OF FERRIC IRON COMPOUNDS, AND METHODS OF USE THEREOF CHIASMA INC. (US) 2012-07-19 WO disclosed