SCHEMBL28291896

SCHEMBL28291896

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
TSHR P16473 1/20 0.52
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 3/20 0.43
EGLN1 Q9GZT9 1/20 0.41
GLO1 Q04760 1/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP2D6 P10635 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALOX15 P16050 1/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
SOAT1 P35610 1/20 0.37
THRB P10828 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL36941 0.91
SCHEMBL28249182 0.89 ALDH1A1 (0.50) ALDH1A1TSHRNPSR1MAPTEGLN1
SCHEMBL28161247 0.88
Ethane SCHEMBL28292869 0.88 ALDH1A1 (0.52) ALDH1A1TSHRNPSR1MAPTEGLN1
Methane SCHEMBL27880950 0.88
SCHEMBL27688167 0.88
Acetic Acid SCHEMBL10953047 0.86 ALDH1A1 (0.50) ALDH1A1TSHRNPSR1MAPTEGLN1
Water SCHEMBL28125205 0.86 ALDH1A1 (0.56) ALDH1A1TSHRNPSR1MAPTEGLN1
Water SCHEMBL28125207 0.86 ALDH1A1 (0.56) ALDH1A1TSHRNPSR1MAPTEGLN1
Ethylene Glycol SCHEMBL11040483 0.84 ALDH1A1 (0.48) ALDH1A1TSHRNPSR1MAPTEGLN1

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-105907038-B LED reflex reflector white heat-curable composition epoxy resin 信越化学工业株式会社 2019-08-20 CN disclosed
CN-105669949-B Optical-semiconductor element encapsulation thermosetting epoxy resin composition and the optical semiconductor device for using it 信越化学工业株式会社 2019-04-26 CN disclosed