SCHEMBL21753676

SCHEMBL21753676

O=C(N(CO)CC1CO1)N(CO)CC1CO1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL11161265 0.88 ALDH1A1 (0.38) ALDH1A1TP53CYP3A4
SCHEMBL10705644 0.78 ALDH1A1 (0.38) ALDH1A1TP53CYP3A4
SCHEMBL13985113 0.78 USP2 (0.31) ALDH1A1TP53CYP3A4
SCHEMBL10706468 0.74 ALDH1A1 (0.35) ALDH1A1TP53CYP3A4
SCHEMBL10704867 0.74 ALDH1A1 (0.39) ALDH1A1TP53CYP3A4
SCHEMBL10985276 0.74 ALDH1A1 (0.44) ALDH1A1TP53CYP3A4
SCHEMBL11159609 0.74 ALDH1A1 (0.32) ALDH1A1TP53CYP3A4
SCHEMBL28524802 0.74 ALDH1A1 (0.36) ALDH1A1TP53CYP3A4
SCHEMBL10706827 0.73 ALDH1A1 (0.34) ALDH1A1TP53CYP3A4
SCHEMBL10703421 0.73 ALDH1A1 (0.34) ALDH1A1TP53CYP3A4

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
CN-112533967-B Oil-in-water droplet type emulsion of active energy ray-curable resin composition and thermosensitive recording material 日本化药株式会社 2023-09-15 CN disclosed
WO-2020039601-A1 OIL-IN-WATER TYPE EMULSION OF ACTINIC-RAY-CURABLE RESIN COMPOSITION, AND THERMAL RECORDING MATERIAL 日本化薬株式会社 2020-02-27 WO disclosed