SCHEMBL9704281

SCHEMBL9704281

COOCC(CO)(CO)CO

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.32
TSHR P16473 2/20 0.32
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 1/20 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
Methacrylic Acid SCHEMBL9703476 0.81 ALDH1A1 (0.33) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL3935165 0.75 ALDH1A1 (0.35) ALDH1A1TSHRTP53CYP3A4MAPK1
SCHEMBL5162929 0.74
SCHEMBL1123845 0.74 ALDH1A1 (0.30) ALDH1A1TSHR
SCHEMBL14518174 0.73 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL14518175 0.73 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL27749318 0.70
Methoxymethane SCHEMBL9344546 0.70 ALDH1A1 (0.41) ALDH1A1TSHRTP53CYP3A4MAPK1
SCHEMBL12384148 0.69 ALDH1A1 (0.37) ALDH1A1TSHRTP53CYP3A4MAPK1
SCHEMBL10878266 0.69 ALDH1A1 (0.35) ALDH1A1TSHRTP53CYP3A4MAPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0222059-B1 IMPROVED RADIATION-HARDENABLE DILUENTS HENKEL CORPORATION (a Delaware corp.) (US) 1992-07-08 EP claimed