SCHEMBL6115342

SCHEMBL6115342

CCCCCCCCCCCCCC[PH](CCCCCC)(CCCCCC)CCCCCC.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.55
FAAH O00519 12/20 0.39
CES1 P23141 8/20 0.39
CES2 O00748 4/20 0.39
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL29489328 0.92 EPHX1 (0.48) EPHX1FAAHCES1CES2MEN1
SCHEMBL6114830 0.92 EPHX1 (0.47) EPHX1FAAHCES1CES2MEN1
Dodecane SCHEMBL30193423 0.88 EPHX1 (0.67) EPHX1FAAHCES1CES2MEN1
Nonane SCHEMBL30193525 0.88 EPHX1 (0.67) EPHX1FAAHCES1CES2MEN1
SCHEMBL6115255 0.87 EPHX1 (0.46) EPHX1FAAHCES1CES2MEN1
SCHEMBL6115384 0.86 EPHX1 (0.45) EPHX1FAAHCES1CES2MEN1
SCHEMBL6115402 0.84 ALDH1A1 (0.44) EPHX1FAAHCES1CES2
Pentane SCHEMBL29587231 0.82 EPHX1 (0.57) EPHX1FAAHCES1CES2
SCHEMBL2833314 0.81 EPHX1 (0.44) EPHX1FAAHCES1CES2MEN1
Trifluoromethanesulfonamide SCHEMBL2730964 0.81 EPHX1 (0.48) EPHX1FAAHCES1CES2MEN1

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-111117594-B Electrochromic material and electrochromic device based on dynamic metal-ligand complexation 吉林大学 2024-03-26 CN claimed
US-9555394-B2 Method of making ionic liquid mediated sol-gel sorbents UNIVERSITY OF SOUTH FLORIDA (US) 2017-01-31 US disclosed
EP-2952518-A1 Organic Phosphonium Salts, a Method for their Preparation, and their Use in Electrochemical Systems Cytec Canada Inc. (CA) 2015-12-09 EP disclosed
US-20140057048-A1 METHOD OF MAKING IONIC LIQUID MEDIATED SOL-GEL SORBENTS UNIVERSITY OF SOUTH FLORIDA (US) 2014-02-27 US disclosed
US-8623279-B2 Ionic liquid mediated sol-gel sorbents UNIVERSITY OF SOUTH FLORIDA (US) 2014-01-07 US disclosed
US-20120128551-A1 IONIC LIQUID MEDIATED SOL-GEL SORBENTS UNIVERSITY OF SOUTH FLORIDA (US) 2012-05-24 US disclosed