SCHEMBL22467977

SCHEMBL22467977

CCCCC1C[N+]([O-])(c2ccccc2)CCO1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 5/20 0.38
EPHX1 P07099 1/20 0.37
APOBEC3A P31941 2/20 0.33
APOBEC3G Q9HC16 2/20 0.33
DPP4 P27487 2/20 0.32
ALDH1A1 P00352 1/20 0.32
RGS12 O14924 1/20 0.31
HTT P42858 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
SCHEMBL22467943 0.96 EPHX1 (0.42) GRM2EPHX1APOBEC3AAPOBEC3GALDH1A1
SCHEMBL22467950 0.94 EPHX1 (0.45) GRM2EPHX1ALDH1A1
SCHEMBL22468063 0.91 ADRB2 (0.31)
SCHEMBL22467911 0.86 ADRB2 (0.33) ALDH1A1
SCHEMBL22468064 0.73 SLC6A2 (0.32)
SCHEMBL22468106 0.73 EPHX1 (0.44) EPHX1ALDH1A1
SCHEMBL22468117 0.72 EPHX1 (0.43) EPHX1ALDH1A1
SCHEMBL22467896 0.71 EPHX1 (0.42) EPHX1ALDH1A1
SCHEMBL22468029 0.71 EPHX1 (0.42) EPHX1ALDH1A1
SCHEMBL22467928 0.70 EPHX1 (0.44) EPHX1ALDH1A1

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