SCHEMBL27978043

SCHEMBL27978043

C=CCN1CCCCC1CCCC

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.46
S1PR3 Q99500 3/20 0.46
S1PR5 Q9H228 3/20 0.46
CHRNB2 P17787 3/20 0.40
CHRNA7 P36544 3/20 0.40
CHRNA4 P43681 3/20 0.40
S1PR4 O95977 1/20 0.38
CYP1A2 P05177 1/20 0.37
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
DRD2 P14416 5/20 0.33
DRD4 P21917 4/20 0.33
DRD3 P35462 4/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
DPP4 P27487 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
SCHEMBL11404681 0.95 S1PR1 (0.51) S1PR1S1PR3S1PR5CHRNB2CHRNA7
SCHEMBL27978058 0.95 S1PR1 (0.44) S1PR1S1PR3S1PR5CHRNB2CHRNA7
Hydrochloric Acid SCHEMBL27764732 0.94 S1PR1 (0.50) S1PR1S1PR3S1PR5CHRNB2CHRNA7
SCHEMBL25443915 0.90 S1PR1 (0.38) S1PR1S1PR3S1PR5CHRNB2CHRNA7
SCHEMBL30481691 0.84 S1PR1 (0.38) S1PR1S1PR3S1PR5S1PR4DRD2
SCHEMBL29291873 0.84 S1PR1 (0.38) S1PR1S1PR3S1PR5CHRNB2CHRNA7
SCHEMBL4986922 0.82 KMT2A (0.43) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL27363212 0.82 S1PR1 (0.53) S1PR1S1PR3S1PR5CHRNB2CHRNA7
Fluoride SCHEMBL30212964 0.80 S1PR1 (0.51) S1PR1S1PR3S1PR5CHRNB2CHRNA7
Bromide SCHEMBL28038350 0.80 S1PR1 (0.51) S1PR1S1PR3S1PR5CHRNB2CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116014240-A Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery using same 三菱化学株式会社 2023-04-25 CN disclosed
CN-104966849-A Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery using same MITSUBISHI CHEM CORP 2015-10-07 CN disclosed
CN-102623747-B Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery using same MITSUBISHI CHEM CORP 2015-02-18 CN disclosed
CN-104167564-A Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEM CORP 2014-11-26 CN disclosed
CN-102754268-B Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEM CORP 2014-11-19 CN disclosed
CN-101018757-B Preparation of organic acids from aldehyde compounds by means of liquid phase oxidation reaction LG CHEMICAL LTD 2010-08-11 CN disclosed
CN-101018757-A Preparation of organic acids from aldehyde compounds by means of liquid phase oxidation reaction LG CHEMICAL LTD (KR) 2007-08-15 CN disclosed