Butane

Butane

SCHEMBL2384822

CCCC.CCCC.CCS(=O)(=O)OS(=O)(=O)CC

nearest known ligand 0.35

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.35
CA2 P00918 4/20 0.35
NPC1 O15118 1/20 0.32
S1PR2 O95136 1/20 0.32
S1PR4 O95977 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
XBP1 P17861 1/20 0.32
S1PR1 P21453 1/20 0.32
MAPK1 P28482 1/20 0.32
AGTR1 P30556 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 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
Butane SCHEMBL2384826 1.00 CA1 (0.35) CA1CA2NPC1S1PR2S1PR4
SCHEMBL499230 0.93 CA1 (0.35) CA1CA2
Fluoride SCHEMBL27321968 0.89 CA1 (0.33) CA1CA2
SCHEMBL28865074 0.89 CA1 (0.33) CA1CA2
SCHEMBL10964477 0.80 HPGD (0.46) CA1CA2NPC1S1PR2S1PR4
SCHEMBL27541078 0.79 CA1 (0.32) CA1CA2
SCHEMBL18126344 0.78 FAAH (0.35) CA2NPC1S1PR2S1PR4ALDH1A1
Acetic Acid SCHEMBL21681585 0.78 FFAR3 (0.41) ALDH1A1LMNAPOLBSMN1; SMN2HSD17B10
SCHEMBL1043228 0.76 USP2 (0.39) CA1CA2ALDH1A1LMNA
SCHEMBL576001 0.76 CA1 (0.33) CA1CA2NPC1S1PR2S1PR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8852818-B2 Non-aqueous secondary battery HITACHI MAXELL, LTD. (JP) 2014-10-07 US disclosed
US-8637177-B2 Electrochemical device HITACHI MAXELL, LTD. (JP) 2014-01-28 US disclosed
US-20130230770-A1 NON-AQUEOUS SECONDARY BATTERY HITACHI MAXELL, LTD. (JP) 2013-09-05 US disclosed
US-20130078509-A1 NON-AQUEOUS SECONDARY BATTERY HITACHI MAXELL ENERGY, LTD. (JP) 2013-03-28 US disclosed
US-20110236737-A1 NON-AQUEOUS SECONDARY BATTERY MAXELL, LTD. (JP) 2011-09-29 US disclosed
US-7829226-B2 positive electrode contains layered structure lithium composite oxide, or spinel thereof containing manganese as active material; non-aqueous electrolytic solution contains additive such as sulfonic acid anhydride, sulfonate ester, cyclic sulfate and cyclic sulfonate ester, and vinylene carbonate HITACHI MAXELL, LTD. (JP) 2010-11-09 US disclosed
US-20100221615-A1 NON-AQUEOUS SECONDARY BATTERY ZHAO JINBAO 2010-09-02 US disclosed
US-20060286459-A1 positive electrode contains layered structure lithium composite oxide, or spinel thereof containing manganese as active material; non-aqueous electrolytic solution contains additive such as sulfonic acid anhydride, sulfonate ester, cyclic sulfate and cyclic sulfonate ester, and vinylene carbonate HITACHI MAXELL, LTD. (JP) 2006-12-21 US disclosed