SCHEMBL9491709

SCHEMBL9491709

CCCCCN1CCCC1C

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.47
S1PR3 Q99500 2/20 0.47
S1PR5 Q9H228 2/20 0.47
S1PR4 O95977 1/20 0.47
HRH3 Q9Y5N1 11/20 0.46
CXCR4 P61073 6/20 0.45

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
SCHEMBL15363078 0.98 S1PR1 (0.50) S1PR1S1PR3S1PR5S1PR4HRH3
SCHEMBL28122642 0.98 S1PR1 (0.50) S1PR1S1PR3S1PR5S1PR4HRH3
SCHEMBL28143835 0.98 S1PR1 (0.50) S1PR1S1PR3S1PR5S1PR4HRH3
SCHEMBL15363013 0.98 S1PR1 (0.50) S1PR1S1PR3S1PR5S1PR4HRH3
Bromide SCHEMBL11459704 0.96 S1PR1 (0.49) S1PR1S1PR3S1PR5S1PR4HRH3
Fluoride SCHEMBL30330859 0.96 S1PR1 (0.49) S1PR1S1PR3S1PR5S1PR4HRH3
Bromide SCHEMBL29077719 0.96 S1PR1 (0.49) S1PR1S1PR3S1PR5S1PR4HRH3
Fluoride SCHEMBL30331229 0.96 S1PR1 (0.49) S1PR1S1PR3S1PR5S1PR4HRH3
Fluoride SCHEMBL30330660 0.96 S1PR1 (0.49) S1PR1S1PR3S1PR5S1PR4HRH3
Cyanide SCHEMBL30330424 0.94 S1PR1 (0.44) S1PR1S1PR3S1PR5S1PR4HRH3

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
JP-5132694-A None JP disclosed
CN-117361808-A Method and system for removing inert organic matters in high-salt wastewater in coal chemical industry 北京中力信达环境技术有限公司 2024-01-09 CN disclosed
CN-113196539-A Ionic liquid-based electrolyte system for high-energy batteries 库伯格股份有限公司 2021-07-30 CN disclosed
US-20150086860-A1 POWER STORAGE DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-03-26 US disclosed
US-20130288112-A1 CYCLIC QUATERNARY AMMONIUM SALT, NONAQUEOUS SOLVENT, NONAQUEOUS ELECTROLYTE, AND POWER STORAGE DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-10-31 US disclosed
JP-H05132694-A FLAVORANT COMPOSITION AND FLAVORING COMPOSITION GIVAUDAN ROURE INTERNATL SA 1993-05-28 JP disclosed