SCHEMBL777595

SCHEMBL777595

Cc1ccccc1-c1cccc(P(=O)(O)O)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
PTK2B Q14289 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MYC P01106 1/20 0.35
POLB P06746 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 2/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KAT6A Q92794 2/20 0.34
GPBAR1 Q8TDU6 2/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL3883821 0.79 MYC (0.44) PTK2BRXFP1MYCPOLBALDH1A1
SCHEMBL776685 0.77 MYC (0.40) HTTPTK2BRXFP1MYCALDH1A1
SCHEMBL17035490 0.75 ACHE (0.46) HTTALDH1A1NPC1RAB9AGAA
SCHEMBL344017 0.75 PTK2B (0.44) PTK2BRXFP1POLBALDH1A1NPC1
SCHEMBL31456137 0.75 PTK2B (0.44) PTK2BRXFP1POLBALDH1A1NPC1
SCHEMBL3885143 0.73 MYC (0.40) MYCPOLBALDH1A1MAPTNPC1
Hydrochloric Acid SCHEMBL10916158 0.73 PTK2B (0.43) PTK2BRXFP1POLBALDH1A1NPC1
Water SCHEMBL7651796 0.73 PTK2B (0.43) PTK2BRXFP1POLBALDH1A1NPC1
SCHEMBL3884349 0.72 BRD4 (0.37) PTK2BRXFP1MYCPOLBALDH1A1
Phosphoric Acid SCHEMBL28782897 0.72 TRPA1 (0.41) HTTMYCALDH1A1MEN1LMNA

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 5 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-20120070731-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-03-22 US disclosed