SCHEMBL9872283

SCHEMBL9872283

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

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
THRB P10828 1/20 0.35
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
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
SCHEMBL4669429 0.94 TSHR (0.43) TSHRTHRBMMP1MMP2MMP9
SCHEMBL632477 0.88 TSHR (0.38) TSHRTHRBMMP1MMP2MMP9
SCHEMBL11862217 0.86 TSHR (0.41) TSHRTHRBPOLBAPEX1HTT
SCHEMBL28395961 0.86 TSHR (0.41) TSHRTHRBPOLBAPEX1HTT
SCHEMBL819333 0.84 THRB (0.37) TSHRTHRBMMP1MMP2MMP9
SCHEMBL5872260 0.83 THRB (0.38) TSHRTHRBMMP1MMP2MMP9
SCHEMBL3820632 0.79 THRB (0.36) TSHRTHRBMMP1MMP2MMP9
SCHEMBL31209956 0.79 THRB (0.36) TSHRTHRBPOLBAPEX1HTT
SCHEMBL1931731 0.79 THRB (0.36) TSHRTHRBPOLBAPEX1HTT
SCHEMBL4234133 0.78 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4383878-A RELEASE COATING OF RADIATION CURED POLYFLUORINATED ACRYLATE MONOMER, CURING AGENT AND POLYMER MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1983-05-17 US claimed
US-4985473-A POLY/FLUOROOXYALKYLENE/URETHANES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1991-01-15 US disclosed
EP-0040923-B1 COMPOSITIONS FOR PROVIDING ABHERENT COATINGS; POLY (FLUOROOYALKYLENE) URETHANE ACRYLATES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1985-05-02 EP disclosed
US-4383878-A RELEASE COATING OF RADIATION CURED POLYFLUORINATED ACRYLATE MONOMER, CURING AGENT AND POLYMER MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1983-05-17 US disclosed
US-4321404-A Compositions for providing abherent coatings MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1982-03-23 US disclosed
EP-0040923-A2 Compositions for providing abherent coatings; poly (fluorooyalkylene) urethane acrylates MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1981-12-02 EP disclosed