SCHEMBL5486102

SCHEMBL5486102

O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NaH]

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 13/20 0.54
CA1 P00915 12/20 0.54
MMP1 P03956 6/20 0.54
MMP2 P08253 6/20 0.54
MMP9 P14780 6/20 0.54
MMP8 P22894 6/20 0.54
MMP13 P45452 6/20 0.54
F2 P00734 4/20 0.48
PRSS1 P07477 4/20 0.48
PRSS2 P07478 4/20 0.48
PRSS3 P35030 4/20 0.48
THRB P10828 1/20 0.39
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.33

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
SCHEMBL5069388 1.00 CA2 (0.54) CA2CA1MMP1MMP2MMP9
SCHEMBL5069433 1.00 CA2 (0.54) CA2CA1MMP1MMP2MMP9
SCHEMBL545274 1.00 CA2 (0.54) CA2CA1MMP1MMP2MMP9
SCHEMBL866861 1.00 CA2 (0.54) CA2CA1MMP1MMP2MMP9
SCHEMBL814005 1.00 CA2 (0.54) CA2CA1MMP1MMP2MMP9
SCHEMBL3684253 1.00 CA2 (0.54) CA2CA1MMP1MMP2MMP9
SCHEMBL3139152 0.97 CA2 (0.56) CA2CA1MMP1MMP2MMP9
SCHEMBL24140 0.97 CA2 (0.56) CA2CA1MMP1MMP2MMP9
SCHEMBL3137344 0.97 CA2 (0.56) CA2CA1MMP1MMP2MMP9
SCHEMBL8437168 0.97 CA2 (0.56) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114324688-B Composite fiber material and method for quantitative detection of trace fluorine-containing compounds 武汉大学 2022-09-13 CN disclosed
EP-2391584-B1 WATER PRETREATMENT UNIT USING A FLUORINATED LIQUID ADIONICS (FR) 2019-06-26 EP disclosed
CN-108270010-A A kind of anode material of lithium battery and conductive additive 镇江宜能新能源材料科技有限公司 2018-07-10 CN disclosed
CN-108232283-A A kind of lithium battery anode additive 镇江宜能新能源材料科技有限公司 2018-06-29 CN disclosed
EP-2463239-A1 Unit for pre-treating water by means of a fluorinated liquid De Souza, Guillaume (FR) 2012-06-13 EP disclosed
US-7258968-B1 Thermally developable materials with buried conductive backside coatings CARESTREAM HEALTH, INC. (US) 2007-08-21 US disclosed