SCHEMBL9872589

SCHEMBL9872589

C=CC(=O)OCCNC(=O)OCCN(CC)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)C(F)(F)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP13 P45452 1/20 0.31
THRB P10828 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
SCHEMBL9873897 0.90 TSHR (0.38) HPGDTSHRCA1CA2MMP1
SCHEMBL560589 0.90 TSHR (0.38) HPGDTSHRCA1CA2MMP1
SCHEMBL7920243 0.90 TSHR (0.38) HPGDTSHRCA1CA2MMP1
SCHEMBL7920244 0.90 TSHR (0.38) HPGDTSHRCA1CA2MMP1
SCHEMBL7906773 0.89 TSHR (0.39) HPGDTSHRCA1CA2MMP1
SCHEMBL9874027 0.84 TSHR (0.34) HPGDTSHR
SCHEMBL30424942 0.83 TSHR (0.38) HPGDTSHRCA1CA2MMP1
SCHEMBL633255 0.82 TSHR (0.40) HPGDTSHRCA1CA2MMP1
SCHEMBL2523004 0.82 TSHR (0.46) HPGDTSHRCA1CA2MMP1
SCHEMBL31127917 0.82 TSHR (0.46) HPGDTSHRCA1CA2MMP1

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
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-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