SCHEMBL28077590

SCHEMBL28077590

CCC1([PH](=O)OC2CCCCC2)CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.34
EPHX1 P07099 1/20 0.33
ACHE P22303 1/20 0.31
NAAA Q02083 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
SCHEMBL28077593 0.76 CYP2C19 (0.33) CYP2C19
SCHEMBL28021665 0.75
SCHEMBL28387312 0.73
SCHEMBL28848157 0.72 CYP2C19 (0.33) CYP2C19
SCHEMBL20377342 0.69 EPHX1 (0.38) EPHX1ACHENAAA
SCHEMBL28021752 0.66 CETP (0.30)
SCHEMBL24862596 0.66 EPHX1 (0.36) EPHX1ACHENAAA
SCHEMBL575312 0.66 NAAA (0.37) EPHX1ACHENAAA
SCHEMBL13763439 0.65 CA1 (0.36) EPHX1ACHENAAA
SCHEMBL673199 0.64 CA1 (0.39) EPHX1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106848406-B Nonaqueous electrolyte solution for secondary battery and nonaqueous electrolyte secondary battery 三菱化学株式会社 2020-09-11 CN disclosed
CN-111048841-A Nonaqueous electrolyte solution for secondary battery and nonaqueous electrolyte secondary battery using same 三菱化学株式会社 2020-04-21 CN disclosed
CN-105633345-B Nonaqueous electrolyte solution for secondary battery and nonaqueous electrolyte secondary battery using same 三菱化学株式会社 2020-01-17 CN disclosed
CN-105633345-A Nonaqueous electrolyte solution for secondary battery and nonaqueous electrolyte secondary battery using same MITSUBISHI CHEM CORP 2016-06-01 CN disclosed