SCHEMBL777836

SCHEMBL777836

C=CCC(CCCc1ccccc1F)P(=O)(O)O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.37
MPO P05164 3/20 0.36
ANPEP P15144 2/20 0.34
ERAP1 Q9NZ08 2/20 0.34
ERAP2 Q6P179 1/20 0.34
PTGER1 P34995 1/20 0.33
PTGFR P43088 1/20 0.33
ACP3 P15309 1/20 0.33
SLC6A4 P31645 1/20 0.33
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
AOC3 Q16853 1/20 0.32
CYP2C19 P33261 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
SCHEMBL779297 0.83 DPP4 (0.37) TAAR1ANPEPNPC1LMNAMAPK1
SCHEMBL778563 0.81 TAAR1 (0.39) TAAR1MPOANPEPERAP1ERAP2
SCHEMBL777070 0.73 ACP3 (0.60) TAAR1MPOANPEPERAP1ERAP2
SCHEMBL776767 0.71 TAAR1 (0.38) TAAR1MPOANPEPERAP1ERAP2
SCHEMBL8063273 0.69 TAAR1 (0.52) TAAR1MPOSLC6A4LMNAAOC3
SCHEMBL778151 0.69 PTGER1 (0.35) TAAR1MPOPTGER1PTGFRSLC6A4
SCHEMBL777507 0.68 C3AR1 (0.42) TAAR1LMNASMN1; SMN2
SCHEMBL779151 0.68 CYP3A4 (0.39) ACP3CYP2C19
SCHEMBL777704 0.68 DPP4 (0.38) TAAR1ANPEPACP3SLC6A4LMNA
SCHEMBL8072160 0.68 TAAR1 (0.50) TAAR1MPOSLC6A4LMNAAOC3

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
US-9608291-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2017-03-28 US disclosed
US-9343777-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-05-17 US disclosed
US-9252457-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-02-02 US disclosed
US-20150188192-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2015-07-02 US disclosed
US-20120177988-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-07-12 US disclosed
US-20120070731-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-03-22 US disclosed
US-20090325065-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2009-12-31 US disclosed