SCHEMBL28112615

SCHEMBL28112615

C=C(O)C(=O)OC.O=[C]O

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
EGLN1 Q9GZT9 1/20 0.34
TGFBR1 P36897 1/20 0.30
TET2 Q6N021 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
SCHEMBL375516 0.89
SCHEMBL21074146 0.79 ALDH1A1 (0.79) ALDH1A1EGLN1TET2
Ethylene Glycol SCHEMBL28199845 0.79 ALDH1A1 (0.48) ALDH1A1EGLN1TGFBR1TET2
Formic Acid SCHEMBL28171074 0.79 ALDH1A1 (0.48) ALDH1A1EGLN1TGFBR1TET2
SCHEMBL28094071 0.77 ALDH1A1 (0.46) ALDH1A1EGLN1TGFBR1TET2
Acrylic Acid SCHEMBL28186372 0.77 LMNA (0.50) ALDH1A1EGLN1
Ethylenediamine SCHEMBL27839508 0.77 ALDH1A1 (0.46) ALDH1A1EGLN1TGFBR1TET2
SCHEMBL28299271 0.75 TDP1 (0.57) ALDH1A1EGLN1
SCHEMBL8389758 0.73 ALDH1A1 (0.47) ALDH1A1EGLN1
SCHEMBL28291896 0.73 ALDH1A1 (0.52) ALDH1A1EGLN1

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
CN-106066583-A Electrostatic image developing toner 柯尼卡美能达株式会社 2016-11-02 CN disclosed