SCHEMBL22329014

SCHEMBL22329014

O=C1OCC(COC/C=C/CCCOCC2COC(=O)O2)O1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 2/20 0.31
TDP1 Q9NUW8 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
SCHEMBL20869684 0.88 ALDH1A1 (0.37) ALDH1A1
SCHEMBL16663913 0.83 TSHR (0.47) TSHRSMN1; SMN2ALDH1A1TDP1
SCHEMBL16675416 0.83 TSHR (0.52) TSHRSMN1; SMN2ALDH1A1TDP1
SCHEMBL22193341 0.81 TSHR (0.50) TSHRSMN1; SMN2ALDH1A1TDP1
SCHEMBL14003900 0.81 TSHR (0.50) TSHRSMN1; SMN2ALDH1A1TDP1
SCHEMBL6553153 0.79 TSHR (0.40) TSHRSMN1; SMN2ALDH1A1TDP1
SCHEMBL22329007 0.79 ALDH1A1 (0.33) ALDH1A1
SCHEMBL22735058 0.79 TSHR (0.42) TSHRSMN1; SMN2ALDH1A1TDP1
SCHEMBL17461572 0.78 TSHR (0.39) TSHRSMN1; SMN2ALDH1A1TDP1
SCHEMBL7627721 0.77 TSHR (0.41) TSHRSMN1; SMN2ALDH1A1TDP1

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
US-20200255571-A1 LIQUID HYDROCARBON COPOLYMERS HAVING TWO CYCLOCARBONATE ETHER END GROUPS BOSTIK SA (FR) 2020-08-13 US disclosed