SCHEMBL4071970

SCHEMBL4071970

CCCCCC(C)(C)c1ccc(OCC(O)COC(F)(F)C(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ PLA2G4B P0C869 1/20 0.42
▸ HTT P42858 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ AR P10275 1/20 0.38
▸ CNR2 P34972 12/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL7167448 0.86 HTT (0.43) LMNAHSD17B10PLA2G4BHTTHIF1A
SCHEMBL4071969 0.83 SMN1; SMN2 (0.49) LMNAHSD17B10HTTHIF1AAR
SCHEMBL8364493 0.81 S1PR1 (0.56) LMNAHSD17B10PLA2G4BHIF1AKDM4E
SCHEMBL2108648 0.81 HTT (0.48) LMNAHSD17B10PLA2G4BHTTHIF1A
SCHEMBL7879429 0.79 LMNA (0.47) LMNAHSD17B10PLA2G4BHTTHIF1A
SCHEMBL9636030 0.75 MAPK1 (0.55) LMNAHSD17B10HTTHIF1AAR
SCHEMBL2108186 0.74 CNR2 (0.49) LMNAHSD17B10ARCNR2CNR1
SCHEMBL7165673 0.72 HTT (0.44) LMNAHSD17B10HTTHIF1AAR
SCHEMBL10492948 0.72 NR5A1 (0.53) CNR2CNR1
SCHEMBL10513794 0.71 NR5A1 (0.56) CNR2CNR1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6174503-B1 NUCLEAR WASTES TREATMENT, ESPECIALLY WASTES WITH A HIGH CONCENTRATION OF COMPETING ALKALI METAL CATIONS LOCKHEED MARTIN ENERGY RESEARCH CORPORATION 2001-01-16 — — US claimed
US-7524469-B2 Extractant composition including crown ether and calixarene extractants BATTELLE ENERGY ALLIANCE, LLC (US) 2009-04-28 — — US disclosed
US-20080179568-A1 EXTRACTANT COMPOSITION INCLUDING CROWN ETHER AND CALIXARENE EXTRACTANTS ENERGY, UNITED STATES DEPARTMENT OF 2008-07-31 — — US disclosed
US-7291316-B2 Cesium and strontium extraction using a mixed extractant solvent including crown ether and calixarene extractants BATTELLE ENERGY ALLIANCE, LLC (US) 2007-11-06 — — US disclosed
US-20050211955-A1 Cesium and strontium extraction using a mixed extractant solvent including crown ether and calixarene extractants BATTELLE ENERGY ALLIANCE, LLC 2005-09-29 — — US disclosed
US-6566561-B1 Phenoxy fluoro-alcohols, their preparation, and their use as phase modifiers and solvating agents THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF ENERGY 2003-05-20 — — US disclosed
US-6174503-B1 NUCLEAR WASTES TREATMENT, ESPECIALLY WASTES WITH A HIGH CONCENTRATION OF COMPETING ALKALI METAL CATIONS LOCKHEED MARTIN ENERGY RESEARCH CORPORATION 2001-01-16 — — US disclosed
WO-1999012878-A1 SOLVENT AND PROCESS FOR EXTRACTING CESIUM FROM ALKALINE WASTE SOLUTIONS LOCKHEED MARTIN ENERGY RES COR (US) 1999-03-18 — — WO disclosed
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