SCHEMBL439081

SCHEMBL439081

C=C(C)C(=O)OC(C)(C)C.C=C(C)C(=O)OCCN(C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.32
TSHR P16473 2/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
MMP8 P22894 1/20 0.30
MMP13 P45452 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
SCHEMBL393824 0.93 THRB (0.36) THRBTSHRCA1CA2MMP1
SCHEMBL31209956 0.92 THRB (0.36) THRBTSHRCA1CA2MMP1
SCHEMBL1931731 0.92 THRB (0.36) THRBTSHRCA1CA2MMP1
SCHEMBL3182021 0.89 THRB (0.37) THRBTSHR
Styrene SCHEMBL5465311 0.88 MMP1 (0.34) CA1CA2MMP1MMP2MMP9
SCHEMBL5464760 0.87 THRB (0.33) THRBTSHRCA1CA2MMP1
SCHEMBL28395961 0.83 TSHR (0.41) THRBTSHRCA1CA2MMP1
SCHEMBL1778769 0.80 THRB (0.36) THRBTSHRCA1CA2MMP1
SCHEMBL3820632 0.79 THRB (0.36) THRBTSHRCA1CA2MMP1
SCHEMBL4234133 0.78 MMP1 (0.39) THRBTSHRCA1CA2MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1551885-B1 PROCESS TO MODIFY POLYMERIC MATERIALS 3M INNOVATIVE PROPERTIES CO (US) 2016-02-17 EP disclosed
US-8101711-B2 Process to modify polymeric materials and resulting compositions 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-01-24 US disclosed
US-20100048819-A1 PROCESS TO MODIFY POLYMERIC MATERIALS AND RESULTING COMPOSITIONS 3M INNOVATIVE PROPERTIES COMPANY 2010-02-25 US disclosed
US-20070100006-A1 FLUORINATED POLYMERS 3M INNOVATIVE PROPERTIES COMPANY 2007-05-03 US disclosed
EP-1551885-A2 PROCESS TO MODIFY POLYMERIC MATERIALS AND RESULTING COMPOSITIONS 3M Innovative Properties Company (US) 2005-07-13 EP disclosed
WO-2004013189-A2 PROCESS TO MODIFY POLYMERIC MATERIALS AND RESULTING COMPOSITIONS 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-02-12 WO disclosed
US-20040024130-A1 Process to modify polymeric materials and resulting compositions 3M INNOVATIVE PROPERTIES COMPANY 2004-02-05 US disclosed