SCHEMBL22467950

SCHEMBL22467950

CCCCCCC1C[N+]([O-])(c2ccccc2)CCO1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.45
GRM2 Q14416 10/20 0.40
ALDH1A1 P00352 1/20 0.40
RAD52 P43351 1/20 0.34
CYP1A2 P05177 2/20 0.33
CFTR P13569 1/20 0.32

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
SCHEMBL22467943 0.99 EPHX1 (0.42) EPHX1GRM2ALDH1A1RAD52CYP1A2
SCHEMBL22467977 0.94 GRM2 (0.38) EPHX1GRM2ALDH1A1
SCHEMBL22468063 0.89 ADRB2 (0.31) CYP1A2
SCHEMBL22467911 0.84 ADRB2 (0.33) ALDH1A1CYP1A2
SCHEMBL22467892 0.75 EPHX1 (0.55) EPHX1ALDH1A1RAD52CYP1A2
SCHEMBL22467906 0.74 EPHX1 (0.53) EPHX1ALDH1A1RAD52CYP1A2
SCHEMBL22467952 0.73 EPHX1 (0.52) EPHX1ALDH1A1RAD52CYP1A2
SCHEMBL22467918 0.73 EPHX1 (0.51) EPHX1ALDH1A1RAD52CYP1A2
SCHEMBL22467934 0.73 EPHX1 (0.51) EPHX1ALDH1A1RAD52CYP1A2
SCHEMBL22468100 0.72 EPHX1 (0.50) 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