SCHEMBL25736733

SCHEMBL25736733

CC(C)(C)OC(=O)NCCCOC(=O)CS

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 7/20 0.56
CA1 P00915 7/20 0.56
CA2 P00918 7/20 0.56
CA9 Q16790 7/20 0.56
TDP1 Q9NUW8 1/20 0.54
MEN1 O00255 1/20 0.51
GAA P10253 1/20 0.51
KMT2A Q03164 1/20 0.51
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
ACHE P22303 7/20 0.41
IDO1 P14902 1/20 0.40

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
SCHEMBL25736735 0.94 CA12 (0.63) CA12CA1CA2CA9TDP1
SCHEMBL25736734 0.94 CA12 (0.63) CA12CA1CA2CA9TDP1
SCHEMBL25736731 0.90 TDP1 (0.49) CA12CA1CA2CA9TDP1
SCHEMBL4112468 0.88 CA12 (0.60) CA12CA1CA2CA9TDP1
SCHEMBL25736706 0.88 CA1 (0.54) CA12CA1CA2CA9TDP1
SCHEMBL28980953 0.85 CA12 (0.57) CA12CA1CA2CA9TDP1
SCHEMBL25736736 0.84 TDP1 (0.44) CA12CA1CA2CA9TDP1
SCHEMBL6937740 0.83 CA12 (0.62) CA12CA1CA2CA9TDP1
SCHEMBL23612648 0.83 CA12 (0.55) CA12CA1CA2CA9TDP1
SCHEMBL4092256 0.83 CA12 (0.55) CA12CA1CA2CA9TDP1

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
US-20230152698-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-18 US disclosed
US-20230152698-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-18 US disclosed