SCHEMBL19720362

SCHEMBL19720362

CC1(C)CC(OCCO)CC(C)(C)N1O

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTT P42858 1/20 0.35

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
SCHEMBL15672481 0.90 GAA (0.41) GAAL3MBTL1HTT
SCHEMBL25866725 0.89 GAA (0.35) GAAL3MBTL1HTT
SCHEMBL16790813 0.86 GAA (0.39) GAAL3MBTL1HTT
SCHEMBL15672512 0.86 GAA (0.39) GAAL3MBTL1HTT
SCHEMBL26157615 0.85 GAA (0.33) GAAL3MBTL1HTT
SCHEMBL987059 0.84 GAA (0.38) GAAL3MBTL1HTT
SCHEMBL11170216 0.84
SCHEMBL16869851 0.83 GAA (0.34) GAAL3MBTL1HTT
SCHEMBL25184322 0.82
SCHEMBL16518712 0.82 GAA (0.36) GAAL3MBTL1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023084859-A1 FLUORINE-CONTAINING COMPOUND AND CONTRAST AGENT TDK株式会社 2023-05-19 WO disclosed
EP-2855630-B1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2017-12-20 EP disclosed