SCHEMBL28295080

SCHEMBL28295080

C(OCC1CO1)C1CO1.C=CCOCC=C

nearest known ligand 0.87

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.87
TSHR P16473 3/20 0.48
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
TDP1 Q9NUW8 3/20 0.39
TP53 P04637 2/20 0.31
CYP3A4 P08684 2/20 0.31
HIF1A Q16665 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 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
SCHEMBL27672259 0.95 ALDH1A1 (0.95) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL15162 0.93
SCHEMBL8064669 0.93
Ethylene Glycol SCHEMBL6756972 0.92 ALDH1A1 (0.74) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
Water SCHEMBL28281397 0.91
SCHEMBL28196537 0.91
Methane SCHEMBL6049887 0.91
Fluoride SCHEMBL8522213 0.91
SCHEMBL10425203 0.91
Water SCHEMBL1244975 0.91 ALDH1A1 (0.95) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109627386-B Resin monomer composition 潍坊科技学院 2022-01-28 CN claimed
CN-109627386-A A kind of resin monomer composition 潍坊科技学院 2019-04-16 CN claimed
CN-109627386-B Resin monomer composition 潍坊科技学院 2022-01-28 CN disclosed
CN-109627386-B Resin monomer composition 潍坊科技学院 2022-01-28 CN disclosed
CN-109627386-A A kind of resin monomer composition 潍坊科技学院 2019-04-16 CN disclosed
CN-109627386-A A kind of resin monomer composition 潍坊科技学院 2019-04-16 CN disclosed