SCHEMBL3885216

SCHEMBL3885216

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

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.36
ACHE P22303 1/20 0.36
HPGD P15428 2/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ERCC5 P28715 1/20 0.32
FEN1 P39748 1/20 0.32
ALDH1A1 P00352 3/20 0.31
CYP3A4 P08684 2/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL3887558 0.78 TSHR (0.43) TSHRACHEHPGDNPC1RAB9A
SCHEMBL778145 0.78 PSIP1 (0.39) ACHENPC1RAB9AALDH1A1LMNA
SCHEMBL3892065 0.71 TSHR (0.36) TSHRACHEHPGDNPC1RAB9A
SCHEMBL780060 0.67 ERCC5 (0.43) TSHRHPGDNPC1RAB9AERCC5
O-Xylene SCHEMBL28858177 0.66 TSHR (0.53) TSHRACHEHPGDNPC1RAB9A
SCHEMBL3887585 0.65 ACHE (0.36) TSHRACHEHPGDNPC1RAB9A
O-Xylene SCHEMBL1019179 0.63 ACHE (0.67) TSHRACHEALDH1A1CYP3A4
O-Xylene SCHEMBL28105858 0.63 ACHE (0.67) TSHRACHEALDH1A1CYP3A4
O-Xylene SCHEMBL28319912 0.63 ACHE (0.67) TSHRACHEALDH1A1CYP3A4
O-Xylene SCHEMBL28163681 0.63 TSHR (0.67) TSHRACHEHPGDALDH1A1CYP3A4

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 3 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-20150188192-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2015-07-02 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