SCHEMBL5038779

SCHEMBL5038779

CC(C)(C)CC(=CO)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 1/20 0.37
GRIK1 P39086 3/20 0.35
HMGCR P04035 1/20 0.35
CHRM1 P11229 1/20 0.35
TBXA2R P21731 1/20 0.35
ADRA1A P35348 1/20 0.35
TSHR P16473 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
GRIK2 Q13002 2/20 0.32
KDM4E B2RXH2 2/20 0.31
FFAR1 O14842 1/20 0.30
CPT2 P23786 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL7976834 0.82 GRIK1 (0.41) TET2GRIK1HMGCRCHRM1TBXA2R
SCHEMBL10811751 0.79 TET2 (0.33) TET2GRIK1HMGCRCHRM1TBXA2R
SCHEMBL5693402 0.78 GRIK1 (0.38) TET2GRIK1HMGCRCHRM1TBXA2R
SCHEMBL9243879 0.78 TSHR (0.50) TET2GRIK1HMGCRCHRM1TBXA2R
SCHEMBL3628410 0.78 TSHR (0.50) TET2GRIK1HMGCRCHRM1TBXA2R
SCHEMBL3628412 0.78 TSHR (0.50) TET2GRIK1HMGCRCHRM1TBXA2R
SCHEMBL8977504 0.78 FFAR1 (0.44) GRIK1CYP2D6CYP2C19GRIK2FFAR1
SCHEMBL7861423 0.75 TSHR (0.31) TSHRKDM4E
SCHEMBL3842415 0.75 TET2 (0.33) TET2GRIK1HMGCRCHRM1TBXA2R
SCHEMBL757486 0.75 TET2 (0.33) TET2GRIK1HMGCRCHRM1TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1551887-A4 FLUORINATED POLYMERS, PHOTORESISTS AND PROCESSES FOR MICROLITHOGRAPHY DU PONT (US) 2008-07-02 EP disclosed
EP-1551887-A1 FLUORINATED POLYMERS, PHOTORESISTS AND PROCESSES FOR MICROLITHOGRAPHY E. I. du Pont de Nemours and Company (US) 2005-07-13 EP disclosed
WO-2004011509-A1 FLUORINATED POLYMERS, PHOTORESISTS AND PROCESSES FOR MICROLITHOGRAPHY E. I. DU PONT DE NEMOURS AND COMPANY (US) 2004-02-05 WO disclosed