SCHEMBL29128808

SCHEMBL29128808

CCOC(=O)OCC.O=C1OCC(F)O1.O=C1OCCO1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
SOAT1 P35610 1/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 2/20 0.32
LMNA P02545 1/20 0.32
ATM Q13315 1/20 0.31
HPGD P15428 1/20 0.30
HSD17B10 Q99714 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
Lithium Ion SCHEMBL29128814 0.95 ALDH1A1 (0.34) ALDH1A1TSHRNPSR1L3MBTL1
SCHEMBL27780935 0.94 ALDH1A1 (0.43) ALDH1A1SOAT1TSHRNPSR1L3MBTL1
SCHEMBL27780972 0.93 TSHR (0.33) ALDH1A1SOAT1TSHRNPSR1L3MBTL1
SCHEMBL28740154 0.92 TSHR (0.32) ALDH1A1TSHRNPSR1L3MBTL1
SCHEMBL25437809 0.87 ALDH1A1 (0.35) ALDH1A1SOAT1TSHRNPSR1L3MBTL1
SCHEMBL4299003 0.86 ALDH1A1 (0.36) ALDH1A1SOAT1TSHRNPSR1L3MBTL1
Propylene Carbonate SCHEMBL27603768 0.84 ALDH1A1 (0.39) ALDH1A1SOAT1TSHRNPSR1L3MBTL1
SCHEMBL28362243 0.83
SCHEMBL25366742 0.83 PPM1B (0.34) ALDH1A1TSHRNPSR1L3MBTL1KDM4E
SCHEMBL1224291 0.82 ALDH1A1 (0.56) ALDH1A1SOAT1TSHRNPSR1KDM4E

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
CN-117050679-A Silicon negative electrode binder with chemical/ion/hydrogen bond triple cross-linked network and preparation method thereof 广西大学 2023-11-14 CN disclosed