SCHEMBL9871556

SCHEMBL9871556

C=CC(=O)OCCCN(C)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 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.41
HPGD P15428 1/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP3A4 P08684 1/20 0.41
TP53 P04637 2/20 0.34
HIF1A Q16665 2/20 0.34
HSD17B10 Q99714 1/20 0.34
THRB P10828 2/20 0.33
CA1 P00915 3/20 0.32
CA2 P00918 3/20 0.32
MMP1 P03956 3/20 0.32
MMP2 P08253 3/20 0.32
MMP9 P14780 3/20 0.32
MMP8 P22894 3/20 0.32
MMP13 P45452 3/20 0.32
F2 P00734 1/20 0.30
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 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
SCHEMBL7906779 0.95 TSHR (0.44) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL1930958 0.92 TSHR (0.36) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL16178607 0.92 TSHR (0.36) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL31127935 0.92 TSHR (0.36) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL17891351 0.92 TSHR (0.36) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL301354 0.91 TSHR (0.37) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL9874027 0.90 TSHR (0.34) TSHRHPGDALDH1A1CYP3A4
SCHEMBL3189947 0.87 TSHR (0.38) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL11787519 0.82 TSHR (0.44) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL30424942 0.82 TSHR (0.38) TSHRHPGDALDH1A1CYP3A4TP53

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