SCHEMBL2348977

SCHEMBL2348977

CCN(CC)CC.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.41
CA2 P00918 2/20 0.39
CA1 P00915 1/20 0.39
PTPN11 Q06124 1/20 0.34
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PPIP5K2 O43314 1/20 0.32
PTPN1 P18031 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
SCHEMBL2352685 1.00 EPHX1 (0.41) EPHX1CA2CA1PTPN11MAPK1
SCHEMBL17435877 0.89 CA1 (0.39) EPHX1CA2CA1MAPK1SMN1; SMN2
Butane SCHEMBL30418608 0.82 EPHX1 (0.50) EPHX1CA2CA1PTPN11MAPK1
Butane SCHEMBL29598328 0.82 EPHX1 (0.50) EPHX1CA2CA1PTPN11MAPK1
SCHEMBL27093602 0.80 EPHX1 (0.35) EPHX1
Trimethylammonium SCHEMBL29395692 0.79 CA2 (0.46) EPHX1CA2CA1PTPN11MAPK1
SCHEMBL4457449 0.79 CA2 (0.56) EPHX1CA2CA1PTPN11MAPK1
SCHEMBL37874 0.79 CA2 (0.56) EPHX1CA2CA1PTPN11MAPK1
SCHEMBL22821168 0.77 EPHX1 (0.38) EPHX1CA2CA1
SCHEMBL6460339 0.77 EPHX1 (0.38) EPHX1CA2CA1MAPK1SMN1; SMN2

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-2043991-B1 HYDROFORMYLATION PROCESS USING A COBALT-BASED CATALYST IN A NONAQUEOUS IONIC LIQUID IFP Energies Nouvelles (FR) 2011-08-31 EP claimed
US-20240301317-A1 METHOD FOR SEPARATING AND QUANTIFYING SATURATED AND UNSATURATED DIALKYL KETONES FUJI OIL HOLDINGS INC. (JP) 2024-09-12 US disclosed
EP-4368690-A1 METHOD FOR SEPARATING AND QUANTIFYING SATURATED AND UNSATURATED DIALKYL KETONES Fuji Oil Holdings Inc. (JP) 2024-05-15 EP disclosed
WO-2023282169-A1 METHOD FOR SEPARATING AND QUANTIFYING SATURATED AND UNSATURATED DIALKYL KETONES 不二製油グループ本社株式会社 2023-01-12 WO disclosed