Butane

Butane

SCHEMBL2392562

C=CCOC(=O)CP(=O)(O)O.CCCC

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.51
TDP1 Q9NUW8 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
PKM P14618 1/20 0.40
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 4/20 0.33
HSD17B10 Q99714 2/20 0.33
MAPT P10636 2/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
HPGD P15428 3/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
PGK1 P00558 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
SCHEMBL5823328 0.92 TSHR (0.44) TSHRTDP1SMN1; SMN2PKMCYP3A4
Butane SCHEMBL11347403 0.81 TSHR (0.34) TSHRTDP1CYP2D6CYP2C9CYP2C19
SCHEMBL14681170 0.79 TSHR (0.47) TSHRTDP1SMN1; SMN2PKMCYP3A4
Butane SCHEMBL945230 0.78 MGAM (0.48) TSHRTDP1SMN1; SMN2CYP3A4CYP2D6
Butane SCHEMBL284262 0.78 TSHR (0.60) TSHRTDP1SMN1; SMN2PKMCYP3A4
SCHEMBL11498319 0.78 TSHR (0.43) TSHRTDP1SMN1; SMN2PKMCYP3A4
SCHEMBL7058394 0.76 TSHR (0.38) TSHRTDP1SMN1; SMN2PKMCYP3A4
SCHEMBL2028174 0.76 TSHR (0.46) TSHRTDP1SMN1; SMN2PKMCYP3A4
Butane SCHEMBL2242033 0.76 ALDH1A1 (0.39) TSHRTDP1CYP2D6CYP2C9CYP2C19
SCHEMBL11239793 0.76 TSHR (0.44) TSHRTDP1SMN1; SMN2PKMCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6495243-B1 Recording substrates for ink jet printing XEROX CORPORATION 2002-12-17 US claimed
US-5759734-A Method of generating simulated photographic-quality images on luminescent melt-formed backing substrates XEROX CORPORATION (US) 1998-06-02 US claimed
US-20240128511-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY USING SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2024-04-18 US disclosed
US-11942601-B2 Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same MITSUBISHI CHEMICAL CORPORATION (JP) 2024-03-26 US disclosed
US-11424482-B2 Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same MITSUBISHI CHEMICAL CORPORATION (JP) 2022-08-23 US disclosed
CN-105449189-B Lithium secondary battery 麦克赛尔控股株式会社 2020-12-01 CN disclosed
CN-105576279-B Lithium secondary battery 麦克赛尔控股株式会社 2020-05-12 CN disclosed
US-20190334208-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY USING SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2019-10-31 US disclosed
US-20170317383-A1 LITHIUM-ION SECONDARY BATTERY HITACHI MAXELL, LTD. (JP) 2017-11-02 US disclosed
US-20150364794-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY USING SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2015-12-17 US disclosed
US-8012430-B2 Methods for producing microchannel chips, microchannel chips, methods for separating biomolecules using the microchannel chips, and electrophoretic apparatus having the microchannel chips NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2011-09-06 US disclosed
US-20100101953-A1 Methods for producing microchannel chips, microchannel chips, methods for separating biomolecules using the microchannel chips, and electrophoretic apparatus having the microchannel chips NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2010-04-29 US disclosed
US-20060113189-A1 Method for separating substances KARUBE, ISAO (JP) 2006-06-01 US disclosed
EP-1548429-A1 METHOD FOR SEPARATING SUBSTANCES Katayanagi Institute (JP) 2005-06-29 EP disclosed
US-6495243-B1 Recording substrates for ink jet printing XEROX CORPORATION 2002-12-17 US disclosed
US-5759734-A Method of generating simulated photographic-quality images on luminescent melt-formed backing substrates XEROX CORPORATION (US) 1998-06-02 US disclosed