SCHEMBL2442545

SCHEMBL2442545

O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CF

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.34
CA1 P00915 2/20 0.34
MMP1 P03956 2/20 0.34
MMP2 P08253 2/20 0.34
MMP9 P14780 2/20 0.34
MMP8 P22894 2/20 0.34
MMP13 P45452 2/20 0.34
F2 P00734 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 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
SCHEMBL7651135 1.00 CA2 (0.34) CA2CA1MMP1MMP2MMP9
SCHEMBL7654396 1.00 CA2 (0.34) CA2CA1MMP1MMP2MMP9
SCHEMBL18007824 1.00 CA2 (0.34) CA2CA1MMP1MMP2MMP9
SCHEMBL7655991 1.00 CA2 (0.34) CA2CA1MMP1MMP2MMP9
SCHEMBL18008306 1.00 CA2 (0.34) CA2CA1MMP1MMP2MMP9
SCHEMBL18008614 1.00 CA2 (0.34) CA2CA1MMP1MMP2MMP9
Ammonia Solution, Strong SCHEMBL18007893 0.98 CA2 (0.33) CA2CA1MMP1MMP2MMP9
Ammonia Solution, Strong SCHEMBL18007827 0.98 CA2 (0.33) CA2CA1MMP1MMP2MMP9
Ammonia Solution, Strong SCHEMBL18008611 0.98 CA2 (0.33) CA2CA1MMP1MMP2MMP9
SCHEMBL18007776 0.98 CA1 (0.32) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6383274-B1 Ink jet ink compositions and printing processes XEROX CORPORATION 2002-05-07 US claimed
EP-3367088-A1 ELECTROCHEMICAL GAS SENSOR AND ELECTROLYTE FOR AN ELECTROCHEMICAL GAS SENSOR Dräger Safety AG & Co. KGaA (DE) 2018-08-29 EP disclosed
EP-3259583-A1 ELECTROCHEMICAL GAS SENSOR AND ELECTROLYTE FOR AN ELECTROCHEMICAL GAS SENSOR Dräger Safety AG & Co. KGaA (DE) 2017-12-27 EP disclosed
WO-2017108972-A1 COMPOUNDS OF R-(-)-(E)-[4-(2,4-DICHLOROPHENYL)-1,3-DITHIOLAN-2-YLIDENE]-1 -IMIDAZOLYLACETONITRILE-HA (LULICONAZOLE-HA) AS ANTIFUNGALS LABORATORIOS LESVI, S.L. (ES) 2017-06-29 WO disclosed
WO-2016131549-A1 ELECTROCHEMICAL GAS SENSOR AND ELECTROLYTE FOR AN ELECTROCHEMICAL GAS SENSOR Dräger Safety AG & Co. KGaA (DE) 2016-08-25 WO disclosed
EP-2550256-B1 PROCESS FOR THE PREPARATION OF BOSENTAN LESVI LABORATORIOS SL (ES) 2015-07-15 EP disclosed
EP-2550256-A1 PROCESS FOR THE PREPARATION OF BOSENTAN Laboratorios Lesvi, S.L. (ES) 2013-01-30 EP disclosed
WO-2011117143-A1 PROCESS FOR THE PREPARATION OF BOSENTAN LABORATORIOS LESVI, S.L. (ES) 2011-09-29 WO disclosed
EP-2368884-A1 Process for the preparation of bosentan Laboratorios Lesvi, S.L. (ES) 2011-09-28 EP disclosed