SCHEMBL25946802

SCHEMBL25946802

CC(C)C(CC(=O)O)OC(=O)C(C)(C)Br

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PGD P52209 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
ALOX15 P16050 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
SCHEMBL25946895 0.87 MMP1 (0.32) MMP1MMP2MMP3MMP9MMP13
SCHEMBL25946698 0.81 PGD (0.32) PGDMMP1MMP2MMP3MMP9
SCHEMBL25946807 0.75 TSHR (0.42) MMP1MMP2MMP3MMP9MMP13
SCHEMBL21422812 0.74
SCHEMBL18327240 0.72 PGD (0.35) PGDMMP1MMP2MMP3MMP9
SCHEMBL25946703 0.72 MMP1 (0.39) MMP1MMP2MMP3MMP9MMP13
SCHEMBL25527409 0.71 TSHR (0.39) MMP1MMP2MMP3MMP9MMP13
SCHEMBL15685105 0.71 TSHR (0.32)
SCHEMBL17191649 0.71 TSHR (0.32)
SCHEMBL9901276 0.71 TSHR (0.32)

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-20240027902-A1 CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-01-25 US disclosed
US-11720020-B2 Resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-08-08 US disclosed