SCHEMBL21055880

SCHEMBL21055880

C(OCC1CO1)C1CO1.C=COCC1CO1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
TSHR P16473 3/20 0.48
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
TDP1 Q9NUW8 2/20 0.39
TP53 P04637 2/20 0.31
CYP3A4 P08684 2/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL207666 0.93
Hydrochloric Acid SCHEMBL10941465 0.91
SCHEMBL27082390 0.91
Fluoride SCHEMBL8522089 0.91
Methane SCHEMBL8676111 0.91
SCHEMBL11210918 0.88 ALDH1A1 (0.81) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
Benzene SCHEMBL1685814 0.86 ALDH1A1 (0.48) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
Vinyl Ether SCHEMBL28198082 0.86 ALDH1A1 (0.48) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
Vinyl Chloride SCHEMBL11142319 0.86 ALDH1A1 (0.48) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL6436159 0.86 ALDH1A1 (0.50) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2904061-B1 MODIFIED POLYPHENOL BINDER COMPOSITIONS AND METHODS FOR MAKING AND USING SAME GEORGIA PACIFIC CHEMICALS LLC (US) 2019-06-19 EP claimed