SCHEMBL29134069

SCHEMBL29134069

O=C=NCC1CCCCC1C1CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 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
SCHEMBL14763547 0.96 CYP1A2 (0.35) ALDH1A1CYP1A2CYP2D6
SCHEMBL29764202 0.87
SCHEMBL29220076 0.82 ALDH1A1 (0.31) ALDH1A1
SCHEMBL302555 0.81 ALDH1A1 (0.39) ALDH1A1
SCHEMBL16266139 0.80 ALDH1A1 (0.37) ALDH1A1
SCHEMBL22899091 0.77 ALDH1A1 (0.33) ALDH1A1
SCHEMBL22899011 0.75 ALDH1A1 (0.34) ALDH1A1
SCHEMBL17302381 0.72 CA1 (0.34) ALDH1A1
SCHEMBL5013453 0.71 ALDH1A1 (0.31) ALDH1A1
SCHEMBL571423 0.71 ALDH1A1 (0.40) ALDH1A1

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-111919326-B Electrolyte, electrochemical device, lithium ion secondary battery, assembly, and compound 大金工业株式会社 2024-06-11 CN disclosed
CN-118026845-A Fluoroacetate compound 大金工业株式会社 2024-05-14 CN disclosed
CN-111937215-B Electrolyte, electrochemical device, lithium ion secondary battery, and assembly 大金工业株式会社 2024-04-19 CN disclosed
CN-112042036-B Electrolyte, electrochemical device, lithium ion secondary battery, and assembly 大金工业株式会社 2024-03-05 CN disclosed
CN-111656595-B Electrolyte, electrochemical device, lithium ion secondary battery and assembly 大金工业株式会社 2024-01-05 CN disclosed
CN-111316492-B Electrolyte, electrochemical device, lithium ion secondary battery, and assembly 大金工业株式会社 2023-06-06 CN disclosed