SCHEMBL28835002

SCHEMBL28835002

CC(C)(CCCBr)OC(=O)O

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.31
FFAR1 O14842 1/20 0.31
CPT2 P23786 1/20 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
SCHEMBL28835000 0.84 GAA (0.32) GAA
SCHEMBL3075338 0.81 LMNA (0.34) GAA
SCHEMBL608106 0.80 CA2 (0.36) FFAR1TDP1
SCHEMBL608718 0.78 CES2 (0.39) FFAR1TDP1
Ammonia Solution, Strong SCHEMBL29208117 0.78 CA2 (0.35) FFAR1TDP1
SCHEMBL5690491 0.77 CES2 (0.42) FFAR1TDP1
SCHEMBL9222465 0.77 GAA (0.43) GAAFFAR1CPT2TDP1
SCHEMBL8813132 0.77
SCHEMBL3449200 0.75 LMNA (0.33)
SCHEMBL9225460 0.75 GAA (0.42) GAAFFAR1CPT2TDP1

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-115028552-A Azide reagent and preparation method and application thereof 南京工业大学 2022-09-09 CN disclosed