SCHEMBL5338408

SCHEMBL5338408

[2H]C([2H])([2H])C([2H])([2H])OC(=O)C(=C)C.[2H]C([2H])=C(C(=O)OCC)C([2H])([2H])[2H]

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.41
TSHR P16473 4/20 0.37
ALDH1A1 P00352 5/20 0.35
GLO1 Q04760 1/20 0.33
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
MAPT P10636 2/20 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
SCHEMBL3802558 0.83
SCHEMBL19409375 0.75 THRB (0.64) THRBTSHRALDH1A1GLO1LMNA
SCHEMBL15030 0.75
Charcoal, Activated SCHEMBL7592908 0.73
Acetone SCHEMBL11325819 0.73 THRB (0.61) THRBTSHRALDH1A1GLO1LMNA
Ammonia Solution, Strong SCHEMBL2598325 0.73
Ethane SCHEMBL21616541 0.73 THRB (0.61) THRBTSHRALDH1A1GLO1LMNA
Hydrochloric Acid SCHEMBL675826 0.73
Ethylene SCHEMBL340677 0.73 THRB (0.61) THRBTSHRALDH1A1GLO1LMNA
SCHEMBL11457945 0.73

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-1745012-A2 COMPOSITIONS OF ALLOSTERIC HEMOGLOBIN MODIFIERS AND METHODS OF MAKING THE SAME Allos Therapeutics, Inc. (US) 2007-01-24 EP disclosed
WO-2005102305-A2 COMPOSITIONS OF ALLOSTERIC HEMOGLOBIN MODIFIERS AND METHODS OF MAKING THE SAME ALLOS THERAPEUTICS, INC. (US) 2005-11-03 WO disclosed