SCHEMBL778151

SCHEMBL778151

O=P(O)(O)C(CCCc1ccccc1F)C1CCCCC1F

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.35
PTGFR P43088 1/20 0.35
C3AR1 Q16581 1/20 0.34
ALDH1A1 P00352 2/20 0.33
GFER P55789 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 2/20 0.33
CCR5 P51681 1/20 0.33
PKM P14618 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TAAR1 Q96RJ0 3/20 0.33
MPO P05164 2/20 0.33
SLC6A4 P31645 1/20 0.33
HPGD P15428 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
SCHEMBL777104 0.85 DPP4 (0.37) ALDH1A1MEN1KMT2ALMNA
SCHEMBL777507 0.84 C3AR1 (0.42) C3AR1ALDH1A1GFERMEN1KMT2A
SCHEMBL776712 0.70 KMT2A (0.43) C3AR1ALDH1A1MEN1KMT2ALMNA
SCHEMBL779249 0.70 KMT2A (0.36) ALDH1A1MEN1KMT2A
SCHEMBL777105 0.70 ACP3 (0.36) ALDH1A1MEN1KMT2A
SCHEMBL777070 0.69 ACP3 (0.60) TAAR1MPO
SCHEMBL777836 0.69 TAAR1 (0.37) PTGER1PTGFRLMNAMAPK1TAAR1
SCHEMBL778563 0.68 TAAR1 (0.39) TAAR1MPOSLC6A4
SCHEMBL776767 0.67 TAAR1 (0.38) PTGER1PTGFRLMNATAAR1MPO
SCHEMBL29468642 0.65 NPC1 (0.39) ALDH1A1MEN1KMT2AMAPK1NPSR1

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