SCHEMBL777508

SCHEMBL777508

O=P(O)(O)CCCC(c1ccccc1F)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
ACP3 P15309 2/20 0.38
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
EPHX1 P07099 1/20 0.34
CYP3A4 P08684 1/20 0.33
PKM P14618 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
MITF O75030 1/20 0.32
C3AR1 Q16581 1/20 0.31
REN P00797 1/20 0.31
S1PR2 O95136 1/20 0.31
S1PR4 O95977 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31

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
SCHEMBL778152 0.84 ACP3 (0.34) KMT2AMEN1ACP3CYP3A4
SCHEMBL776713 0.84 KMT2A (0.41) KMT2AMEN1ACP3NPC1RAB9A
SCHEMBL777301 0.76 KMT2A (0.44) KMT2AMEN1ACP3NPC1RAB9A
SCHEMBL776692 0.76 ALDH1A1 (0.41) KMT2AMEN1CYP3A4S1PR2S1PR4
SCHEMBL777071 0.72 CYP19A1 (0.48) KMT2AMEN1ACP3CYP3A4S1PR2
SCHEMBL778564 0.70 CYP3A4 (0.36) KMT2AMEN1CYP3A4PKMS1PR2
SCHEMBL777105 0.70 ACP3 (0.36) KMT2AMEN1ACP3CYP3A4
SCHEMBL781362 0.69 CYP19A1 (0.42) KMT2AMEN1ACP3CYP3A4S1PR2
SCHEMBL777507 0.69 C3AR1 (0.42) KMT2AMEN1PKMC3AR1
SCHEMBL777837 0.68 CYP2C19 (0.35) KMT2AMEN1CYP3A4PKMS1PR2

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