SCHEMBL7754048

SCHEMBL7754048

O=S(=O)(OCC(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)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.40
CA1 P00915 7/20 0.40
MMP1 P03956 2/20 0.33
MMP2 P08253 2/20 0.33
MMP9 P14780 2/20 0.33
MMP8 P22894 2/20 0.33
MMP13 P45452 2/20 0.33
F2 P00734 2/20 0.31
PRSS1 P07477 2/20 0.31
PRSS2 P07478 2/20 0.31
PRSS3 P35030 2/20 0.31

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
SCHEMBL7750699 1.00 CA2 (0.40) CA2CA1MMP1MMP2MMP9
SCHEMBL7750808 1.00 CA2 (0.40) CA2CA1MMP1MMP2MMP9
SCHEMBL7755413 1.00 CA2 (0.40) CA2CA1MMP1MMP2MMP9
SCHEMBL7754460 1.00 CA2 (0.40) CA2CA1MMP1MMP2MMP9
SCHEMBL7755397 0.98 CA2 (0.39) CA2CA1MMP1MMP2MMP9
SCHEMBL7756848 0.97 CA2 (0.40) CA2CA1MMP1MMP2MMP9
SCHEMBL7750856 0.95 CA2 (0.39) CA2CA1MMP1MMP2MMP9
SCHEMBL7750828 0.89 CA1 (0.36) CA2CA1
SCHEMBL1758440 0.84 CA2 (0.45) CA2CA1MMP1MMP2MMP9
SCHEMBL22117318 0.81 CA2 (0.41) CA2CA1MMP1MMP2MMP9

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-0792255-B1 LIQUID CRYSTAL COMPOUNDS HAVING PERFLUOROETHER TERMINAL PORTIONS MINNESOTA MINING & MFG (US) 2001-02-28 EP disclosed
EP-0792255-A1 LIQUID CRYSTAL COMPOUNDS HAVING PERFLUOROETHER TERMINAL PORTIONS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-09-03 EP disclosed
WO-1996015092-A1 LIQUID CRYSTAL COMPOUNDS HAVING PERFLUOROETHER TERMINAL PORTIONS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-05-23 WO disclosed
US-5482650-A Liquid crystal compounds having perfluoroether terminal portions MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-01-09 US disclosed