SCHEMBL4595076

SCHEMBL4595076

O=C(O)C(F)(C(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.62
LMNA P02545 1/20 0.36
CA2 P00918 3/20 0.36
CA1 P00915 2/20 0.36
MMP1 P03956 2/20 0.36
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36
MMP8 P22894 2/20 0.36
MMP13 P45452 2/20 0.36
F2 P00734 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL15477693 1.00 THRB (0.62) THRBLMNACA2CA1MMP1
SCHEMBL6285066 1.00 THRB (0.62) THRBLMNACA2CA1MMP1
SCHEMBL703138 1.00 THRB (0.62) THRBLMNACA2CA1MMP1
SCHEMBL9110820 1.00 THRB (0.62) THRBLMNACA2CA1MMP1
SCHEMBL10631423 1.00 THRB (0.62) THRBLMNACA2CA1MMP1
Fluoride SCHEMBL11204691 0.97 THRB (0.59) THRBLMNACA2CA1MMP1
SCHEMBL8472552 0.97 THRB (0.57) THRBLMNACA2CA1MMP1
SCHEMBL8472882 0.88 THRB (0.52) THRBALDH1A1L3MBTL1
SCHEMBL8639885 0.83 THRB (0.62) THRBCA2CA1MMP1MMP2
SCHEMBL25223581 0.77 THRB (1.00) THRBLMNACA2CA1MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1476478-B1 PROCESS FOR THE PREPARATION OF A FUNCTIONALIZED POLYMERS AND INTERMEDIATE PRODUCTS, COMPOSITIONS AND SHAPED PARTS DSM IP ASSETS BV (NL) 2008-01-09 EP disclosed
US-7273910-B2 Process for the preparation of a functionalized polymer intermediate products, compositions and shaped parts DSM IP ASSETS B.V. (NL) 2007-09-25 US disclosed
US-20050158560-A1 Process for the preparation of a functionalized polymer intermediate products, compositions and shaped parts DSM IP ASSETS B.V. (NL) 2005-07-21 US disclosed
EP-1476478-A1 PROCESS FOR THE PREPARATION OF A FUNCTIONALIZED POLYMERS AND INTERMEDIATE PRODUCTS, COMPOSITIONS AND SHAPED PARTS DSM N.V. (NL) 2004-11-17 EP disclosed
WO-2003070785-A1 PROCESS FOR THE PREPARATION OF A FUNCTIONALIZED POLYMERS AND INTERMEDIATE PRODUCTS, COMPOSITIONS AND SHAPED PARTS DSM IP ASSETS B.V. (NL) 2003-08-28 WO disclosed