SCHEMBL780060

SCHEMBL780060

CCS(=O)(O)(O)C(=O)c1ccccc1C

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.43
FEN1 P39748 1/20 0.43
TSHR P16473 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPK1 P28482 1/20 0.41
HPGD P15428 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 2/20 0.40
BCHE P06276 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTT P42858 1/20 0.39
CTNNB1 P35222 2/20 0.38
WNT3A P56704 2/20 0.38

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
SCHEMBL778700 0.80 HPGD (0.46) ERCC5FEN1NPC1RAB9AHPGD
SCHEMBL778216 0.79 HPGD (0.44) ERCC5FEN1NPC1RAB9AHPGD
SCHEMBL776603 0.74 HPGD (0.44) ERCC5FEN1TSHRNPC1RAB9A
SCHEMBL777372 0.71 ALDH1A1 (0.48) NPC1RAB9AHPGDSLC6A2SLC6A4
Toluic Acid SCHEMBL27433951 0.71 ALDH1A1 (0.53) ERCC5FEN1TSHRMAPK1HPGD
SCHEMBL31901342 0.70 ERCC5 (0.60) ERCC5FEN1TSHRNPC1RAB9A
SCHEMBL364889 0.70 ERCC5 (0.60) ERCC5FEN1TSHRNPC1RAB9A
SCHEMBL1596859 0.69 HPGD (0.50) ERCC5FEN1HPGDKMT2ASMN1; SMN2
Toluic Acid SCHEMBL29281084 0.68 ALDH1A1 (0.55) ERCC5FEN1TSHRMAPK1HPGD
SCHEMBL166603 0.68 HPGD (0.54) ERCC5FEN1TSHRHPGDSMN1; 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