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SCHEMBL10427469

SCHEMBL10427469

CC(=O)ON(CCCN(OC(C)=O)OC(C)=O)OC(C)=O.[Fe]

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TSHR P16473 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
SCHEMBL9005427 0.97 ALDH1A1 (0.33) ALDH1A1LMNAHSD17B10TSHR
Potassium SCHEMBL9155099 0.95 ALDH1A1 (0.32) ALDH1A1LMNAHSD17B10TSHR
SCHEMBL2771589 0.95 ALDH1A1 (0.32) ALDH1A1LMNAHSD17B10TSHR
SCHEMBL6361287 0.90 ALDH1A1 (0.32) ALDH1A1LMNAHSD17B10TSHR
SCHEMBL3063255 0.89 ALDH1A1 (0.35) ALDH1A1LMNAHSD17B10TSHR
Potassium SCHEMBL15329440 0.86 ALDH1A1 (0.33) ALDH1A1LMNAHSD17B10TSHR
SCHEMBL5388609 0.86 ALDH1A1 (0.33) ALDH1A1LMNAHSD17B10TSHR
Ammonia Solution, Strong SCHEMBL3474898 0.86 ALDH1A1 (0.33) ALDH1A1LMNAHSD17B10TSHR
SCHEMBL29350927 0.86 ALDH1A1 (0.33) ALDH1A1LMNAHSD17B10TSHR
SCHEMBL21123 0.86 ALDH1A1 (0.37) ALDH1A1LMNAHSD17B10TSHR

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
JP-2048558-A — — None — — JP disclosed
JP-H0248558-A STABILIZATION OF AQUEOUS SOLUTION OF IRON (III) 1,3-PROPYLENEDIAMINE TETRAACETATE KIRESUTO GIKEN:KK 1990-02-19 — — JP disclosed