SCHEMBL777580

SCHEMBL777580

O=P(O)(O)C(Cc1ccc(F)cc1)c1ccccc1F

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 8/20 0.53
LAP3 P28838 3/20 0.40
ANPEP P15144 1/20 0.40
CYP3A4 P08684 1/20 0.38
PPARG P37231 2/20 0.37
PPARA Q07869 2/20 0.37
CNR2 P34972 2/20 0.37
TRPA1 O75762 1/20 0.37

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
SCHEMBL781361 0.82 ACP3 (0.43) ACP3ANPEP
SCHEMBL21616477 0.77 CYP3A4 (0.42) ACP3LAP3ANPEPCYP3A4CNR2
SCHEMBL779151 0.73 CYP3A4 (0.39) ACP3CYP3A4CNR2
SCHEMBL9590631 0.73 TRPA1 (0.47) CYP3A4CNR2TRPA1
SCHEMBL20587741 0.72 ACP3 (0.65) ACP3LAP3ANPEP
SCHEMBL776850 0.72 ACP3 (0.51) ACP3CYP3A4
SCHEMBL777581 0.72 ALDH1A1 (0.40) ACP3CYP3A4CNR2
SCHEMBL778849 0.70 ACP3 (0.47) ACP3CYP3A4CNR2
SCHEMBL779167 0.69 CYP3A4 (0.44) ACP3LAP3ANPEPCYP3A4CNR2
SCHEMBL1613588 0.69 ANPEP (0.67) LAP3ANPEPTRPA1

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