SCHEMBL781235

SCHEMBL781235

O=P(O)(O)CCCC(CC(F)(F)F)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 9/20 0.42
SRC P12931 1/20 0.41
CYP2D6 P10635 1/20 0.39
S1PR2 O95136 2/20 0.38
S1PR4 O95977 2/20 0.38
S1PR1 P21453 2/20 0.38
S1PR3 Q99500 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
SMPD2 O60906 1/20 0.36
SMPD1 P17405 1/20 0.36

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
SCHEMBL781228 0.81 ACP3 (0.46) ACP3SRC
SCHEMBL874649 0.77 HTR2A (0.55) ACP3SRCS1PR2S1PR4S1PR1
SCHEMBL776864 0.74 ACP3 (0.58) ACP3SRC
SCHEMBL11566039 0.73 RIPK1 (0.36) CYP2D6
SCHEMBL779703 0.71 ALDH1A1 (0.45) ALDH1A1
SCHEMBL31430506 0.70 HTR2A (0.52) ACP3SRCS1PR2S1PR4S1PR1
SCHEMBL3889176 0.70 ACP3 (0.58) ACP3SRCALDH1A1
SCHEMBL777071 0.70 CYP19A1 (0.48) ACP3SRCS1PR2S1PR4S1PR1
SCHEMBL3883994 0.69 HTR2A (0.50) ACP3SRCMEN1ALDH1A1KMT2A
SCHEMBL21099021 0.68 S1PR2 (0.51) ACP3SRCS1PR2S1PR4S1PR1

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