SCHEMBL23822909

SCHEMBL23822909

COCCOCCOCC1COc2cscc2O1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 2/20 0.33
CYP2D6 P10635 3/20 0.32
S1PR1 P21453 2/20 0.32
SGPL1 O95470 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 2/20 0.30
CYP2C19 P33261 2/20 0.30
KMT2A Q03164 2/20 0.30
HTR1A P08908 3/20 0.30
ADRA1D P25100 3/20 0.30
ADRA1A P35348 3/20 0.30
ADRA1B P35368 3/20 0.30
KDM4E B2RXH2 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPK1 P28482 1/20 0.30
THPO P40225 1/20 0.30
ADRA2A P08913 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
SCHEMBL1633925 1.00 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2TSHRCYP2D6S1PR1
SCHEMBL28676828 1.00 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2TSHRCYP2D6S1PR1
SCHEMBL14748770 0.99 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2TSHRCYP2D6S1PR1
SCHEMBL20348449 0.89 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2CYP2D6S1PR1SGPL1
SCHEMBL13321811 0.89 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2CYP2D6S1PR1SGPL1
SCHEMBL14188552 0.87 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2CYP2D6S1PR1SGPL1
SCHEMBL13321812 0.86 CYP2D6 (0.32) ALDH1A1CYP2D6S1PR1SGPL1CYP2C19
SCHEMBL31516452 0.86 ALDH1A1 (0.34) ALDH1A1CYP2D6S1PR1SGPL1MEN1
SCHEMBL2847714 0.86 ALDH1A1 (0.32) ALDH1A1CYP2D6
SCHEMBL31516457 0.86 ALDH1A1 (0.32) ALDH1A1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11773212-B2 Preparation method of polymer LG ENERGY SOLUTION, LTD. (KR) 2023-10-03 US disclosed
US-11773212-B2 Preparation method of polymer LG ENERGY SOLUTION, LTD. (KR) 2023-10-03 US disclosed
US-20210284790-A1 PREPARATION METHOD OF POLYMER LG ENERGY SOLUTION, LTD. (KR) 2021-09-16 US disclosed