SCHEMBL4669429

SCHEMBL4669429

C=C(C)C(=O)OCCN(CCCC)S(=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)F

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
THRB P10828 1/20 0.35
MMP1 P03956 2/20 0.32
MMP2 P08253 2/20 0.32
MMP9 P14780 2/20 0.32
MMP8 P22894 2/20 0.32
MMP13 P45452 2/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 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
SCHEMBL9872283 0.94 TSHR (0.49) TSHRTHRBMMP1MMP2MMP9
SCHEMBL632477 0.94 TSHR (0.38) TSHRTHRBMMP1MMP2MMP9
SCHEMBL819333 0.90 THRB (0.37) TSHRTHRBMMP1MMP2MMP9
SCHEMBL5872260 0.89 THRB (0.38) TSHRTHRBMMP1MMP2MMP9
SCHEMBL2523004 0.83 TSHR (0.46) TSHRTHRBMMP1MMP2MMP9
SCHEMBL31127917 0.83 TSHR (0.46) TSHRTHRBMMP1MMP2MMP9
SCHEMBL3820632 0.83 THRB (0.36) TSHRTHRBMMP1MMP2MMP9
SCHEMBL1931731 0.83 THRB (0.36) TSHRTHRBMMP1MMP2MMP9
SCHEMBL31209956 0.83 THRB (0.36) TSHRTHRBMMP1MMP2MMP9
SCHEMBL4234133 0.81 MMP1 (0.39) TSHRTHRBMMP1MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0851246-B1 Optical fiber clad with low refractive index photocured composition LUCENT TECHNOLOGIES INC (US) 2008-12-10 EP disclosed
US-5822489-A CLADDING ON OPTICAL FIBER MADE OF A CURED MATERIAL COMPRISING A PERFLUOROPOLYETHER OR PERFLUOROHYDROCARBON BACKBONE END CAPPED WITH (METH)ACRYLATE GROUPS VIA URETHANE GROUPS LUCENT TECHNOLOGIES, INC. (US) 1998-10-13 US disclosed
EP-0851246-A1 Optical fiber clad with low refractive index photocured composition LUCENT TECHNOLOGIES INC. (US) 1998-07-01 EP disclosed
EP-0632059-A2 Interpenetrating networks from unsaturated monomers and thermosetting resins SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-01-04 EP disclosed