SCHEMBL776822

SCHEMBL776822

CCCc1cccc(P(=O)(O)O)c1F

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.36
GABRA1 P14867 2/20 0.35
GABRB2 P47870 2/20 0.35
NPC1 O15118 2/20 0.34
POLB P06746 2/20 0.34
PTK2B Q14289 2/20 0.34
CTSL P07711 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
ALPG P10696 1/20 0.33
FBP1 P09467 1/20 0.32
PTPN5 P54829 1/20 0.32
TSHR P16473 1/20 0.32
IAPP P10997 1/20 0.32
ACP3 P15309 1/20 0.32

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
SCHEMBL343470 0.82 POLB (0.42) DAOGABRA1GABRB2NPC1POLB
SCHEMBL29616514 0.82 POLB (0.42) DAOGABRA1GABRB2NPC1POLB
SCHEMBL1537965 0.81 GABRA1 (0.36) DAOGABRA1GABRB2NPC1POLB
SCHEMBL18261811 0.77 GABRA1 (0.41) DAOGABRA1GABRB2NPC1POLB
SCHEMBL21611194 0.75 GABRA1 (0.42) DAOGABRA1GABRB2ALDH1A1PTPN5
SCHEMBL779734 0.75 AR (0.38) DAONPC1POLBPTK2BALDH1A1
SCHEMBL20526234 0.74 TSHR (0.39) DAOGABRA1GABRB2POLBALDH1A1
SCHEMBL28488591 0.73 BID (0.38) NPC1POLBPTK2BTSHR
SCHEMBL779318 0.73 BID (0.33) GABRA1GABRB2PTPN5TSHR
SCHEMBL25380690 0.72 HTR1A (0.47) GABRA1GABRB2IAPP

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