SCHEMBL778035

SCHEMBL778035

Cc1ccccc1C(=O)C(C(=O)c1ccccc1C)(C(F)(F)F)P(=O)(O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.41
KCNJ11 Q14654 1/20 0.40
PGK1 P00558 3/20 0.40
PGK2 P07205 3/20 0.40
PTPN1 P18031 2/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX12 P18054 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
ELANE P08246 2/20 0.38
PLAU P00749 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
POLB P06746 1/20 0.37
TYK2 P29597 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ERCC5 P28715 1/20 0.37
FEN1 P39748 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
SCHEMBL8955453 0.83 PTPN1 (0.48) HPGDKCNJ11PGK1PGK2PTPN1
SCHEMBL778555 0.77 HPGD (0.44) HPGDSMN1; SMN2ELANEPLAUPOLB
SCHEMBL1199962 0.76 CES1 (0.50) HPGDALDH1A1ALOX12SMN1; SMN2ELANE
SCHEMBL29645048 0.76 CES1 (0.50) HPGDALDH1A1ALOX12SMN1; SMN2ELANE
Ethane SCHEMBL20186012 0.74 CES1 (0.48) HPGDALDH1A1ALOX12SMN1; SMN2ELANE
SCHEMBL29137330 0.74 HPGD (0.44) HPGDALDH1A1ALOX12SMN1; SMN2ELANE
SCHEMBL1278673 0.73 HPGD (0.43) HPGDALDH1A1ALOX12SMN1; SMN2ELANE
SCHEMBL1278501 0.73 HPGD (0.43) HPGDALDH1A1ALOX12SMN1; SMN2ELANE
SCHEMBL777842 0.72 CA2 (0.58) HPGDPGK1PGK2PTPN1ALDH1A1
SCHEMBL29270286 0.72 HPGD (0.37) HPGDPTPN1ALDH1A1ALOX12SMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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