SCHEMBL21023737

SCHEMBL21023737

C#CCOCC(COCC(C)O)(COCC(C)O)COCC1CO1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL1768045 0.85 TSHR (0.50) TSHRMAPK1ALDH1A1SMN1; SMN2
SCHEMBL21023461 0.81 TSHR (0.47) TSHRMAPK1ALDH1A1SMN1; SMN2
SCHEMBL14345780 0.80 TSHR (0.44) TSHRMAPK1ALDH1A1SMN1; SMN2
SCHEMBL15827369 0.78 TSHR (0.41) TSHRMAPK1ALDH1A1SMN1; SMN2
SCHEMBL16115060 0.75
SCHEMBL16039188 0.75
SCHEMBL246814 0.75
SCHEMBL18902511 0.75 TSHR (0.41) TSHRMAPK1ALDH1A1SMN1; SMN2
SCHEMBL12402829 0.75 TSHR (0.48) TSHRMAPK1ALDH1A1SMN1; SMN2
SCHEMBL2367662 0.74 TSHR (0.45) TSHRMAPK1ALDH1A1SMN1; SMN2

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-2493291-B1 PEHAM DENDRIMERS FOR USE IN AGRICULTURE DENDRITIC NANOTECHNOLOGIES INC (US) 2019-05-22 EP disclosed