SCHEMBL9857356

SCHEMBL9857356

C=C(CCC(C)O)C(=O)O.O=C=NCCCCCCN=C=O

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 3/20 0.33
TET3 O43151 1/20 0.33
TET1 Q8NFU7 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL445917 0.82 TBXAS1 (0.38) TET2TET3TET1
SCHEMBL448594 0.82 TBXAS1 (0.38) TET2TET3TET1
SCHEMBL2358462 0.82 TBXAS1 (0.38) TET2TET3TET1
SCHEMBL448242 0.82 TBXAS1 (0.38) TET2TET3TET1
SCHEMBL445702 0.82 TBXAS1 (0.38) TET2TET3TET1
SCHEMBL33514 0.80 TBXAS1 (0.36) TET2TET3TET1
SCHEMBL27792 0.80 ALDH1A1 (0.45) TET2TET3TET1ALDH1A1
SCHEMBL15427 0.78 TET2 (0.39) TET2TET3TET1
Hydrochloric Acid SCHEMBL1961274 0.78 ALDH1A1 (0.43) TET2TET3TET1ALDH1A1
Acetone SCHEMBL5519066 0.77 TET2 (0.35) TET2TET3TET1

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-0421666-A2 Thermosetting resin composition DAINIPPON INK AND CHEMICALS, INC. (JP) 1991-04-10 EP disclosed