SCHEMBL22467906

SCHEMBL22467906

CCCCCCC1C[N+]([O-])(CC)CCO1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.53
ALDH1A1 P00352 2/20 0.47
RAD52 P43351 1/20 0.39
CYP1A2 P05177 2/20 0.35
SPHK1 Q9NYA1 4/20 0.31
SPHK2 Q9NRA0 3/20 0.31
TDP1 Q9NUW8 1/20 0.31
PPARG P37231 1/20 0.30
ENPP2 Q13822 1/20 0.30
LPAR2 Q9HBW0 1/20 0.30

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
SCHEMBL22468100 0.98 EPHX1 (0.50) EPHX1ALDH1A1RAD52CYP1A2
SCHEMBL22468117 0.93 EPHX1 (0.43) EPHX1ALDH1A1RAD52
SCHEMBL22468038 0.89 EPHX1 (0.51) EPHX1ALDH1A1RAD52CYP1A2SPHK1
SCHEMBL22467934 0.89 EPHX1 (0.51) EPHX1ALDH1A1RAD52CYP1A2SPHK1
SCHEMBL22467918 0.89 EPHX1 (0.51) EPHX1ALDH1A1RAD52CYP1A2SPHK1
SCHEMBL22467944 0.89 EPHX1 (0.51) EPHX1ALDH1A1RAD52CYP1A2SPHK1
SCHEMBL22468010 0.89 EPHX1 (0.51) EPHX1ALDH1A1RAD52CYP1A2SPHK1
SCHEMBL22468001 0.87 EPHX1 (0.49) EPHX1ALDH1A1RAD52CYP1A2
SCHEMBL22467895 0.87 EPHX1 (0.49) EPHX1ALDH1A1RAD52CYP1A2
SCHEMBL28493707 0.87 EPHX1 (0.49) EPHX1ALDH1A1RAD52CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11469448-B2 Electrolyte additive, electrolyte and lithium ion secondary battery containing the same MURATA MANUFACTURING CO., LTD. (JP) 2022-10-11 US disclosed
CN-111755749-A Electrolyte additive, electrolyte and lithium ion secondary battery comprising same 株式会社村田制作所 2020-10-09 CN disclosed
US-20200313239-A1 ELECTROLYTE ADDITIVE, ELECTROLYTE AND LITHIUM ION SECONDARY BATTERY CONTAINING THE SAME MURATA MANUFACTURING CO., LTD. (JP) 2020-10-01 US disclosed