Butane

Butane

SCHEMBL945230

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

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.48
GAA P10253 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
ALDH1A1 P00352 4/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
TRPA1 O75762 1/20 0.44
CYP1A2 P05177 1/20 0.39
TSHR P16473 3/20 0.39
LMNA P02545 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 1/20 0.38
ALOX15 P16050 2/20 0.37

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
SCHEMBL435620 0.95 GAA (0.52) MGAMGAASIMGAM2ALDH1A1
Hydrochloric Acid SCHEMBL6896809 0.93 GAA (0.50) MGAMGAASIMGAM2ALDH1A1
SCHEMBL6775118 0.91 GAA (0.48) MGAMGAASIMGAM2ALDH1A1
Ethyl Acetate SCHEMBL28483432 0.87 ALDH1A1 (0.58) MGAMGAASIMGAM2ALDH1A1
Diethylamine SCHEMBL27831367 0.85 GAA (0.48) MGAMGAASIMGAM2ALDH1A1
Butane SCHEMBL2242033 0.84 ALDH1A1 (0.39) ALDH1A1CYP2D6CYP2C9CYP2C19TSHR
SCHEMBL1408938 0.82 ALDH1A1 (0.41) ALDH1A1CYP2D6CYP2C9CYP2C19TSHR
Butane SCHEMBL2237628 0.81 NAAA (0.48) ALDH1A1CYP2D6CYP2C19CYP1A2TSHR
Biphenyl SCHEMBL2044408 0.79 MEN1 (0.51) GAAALDH1A1TSHRLMNAMEN1
Butane SCHEMBL2238291 0.79 POLB (0.42) MGAMGAASIMGAM2CYP2D6

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 276 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871950-B1 Process for preparing (+)-polyoxamic acid KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KIST) (KR) 2014-10-28 US claimed
JP-3261763-A None JP disclosed
CN-118974140-A Polyester resin composition for film containing titanium catalyst and method for producing same 东丽先端素材韩国股份有限公司 2024-11-15 CN disclosed
EP-4391139-A1 ELECTROLYTE SOLUTION, ELECTROCHEMICAL DEVICE, SECONDARY BATTERY, AND LITHIUM ION SECONDARY BATTERY DAIKIN INDUSTRIES, LTD. (JP) 2024-06-26 EP disclosed
US-12015121-B2 Electrolyte, electrochemical device, lithium ion secondary battery, and module DAIKIN INDUSTRIES, LTD. (JP) 2024-06-18 US disclosed
US-12002926-B2 Electrolyte, electrochemical device, lithium ion secondary battery, and module DAIKIN INDUSTRIES, LTD. (JP) 2024-06-04 US disclosed
US-11996522-B2 Electrolyte, electrochemical device, lithium-ion secondary battery, and module DAIKIN INDUSTRIES, LTD. (JP) 2024-05-28 US disclosed
WO-2024090439-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS SECONDARY BATTERY 旭化成株式会社 2024-05-02 WO disclosed
US-20240145780-A1 ELECTROLYTIC SOLUTION, ELECTROCHEMICAL DEVICE, LITHIUM-ION SECONDARY BATTERY, AND MODULE DAIKIN INDUSTRIES, LTD. (JP) 2024-05-02 US disclosed
CN-110799190-B Heterocyclic compounds 卡都瑞恩医药有限公司 2024-04-19 CN disclosed
CN-1073176-A Amino alkyl pyrrolidyl carbapenem derivative UNIVERSAL PHARMACEUTICAL CO LT (JP) 1993-06-16 CN disclosed
WO-1993010097-A1 NITRO COMPOUNDS HAVING VASODILATOR ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-05-27 WO disclosed
WO-1993008188-A1 TRICYCLIC QUINOXALINEDIONES AS GLUTAMATE RECEPTOR ANTAGONISTS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1993-04-29 WO disclosed
JP-H03261763-A METHOD FOR PREVENTING POLYMERIZATION OF MALEIMIDES NIPPON SHOKUBAI CO LTD 1991-11-21 JP disclosed
US-4906669-A Isoprenoid derivatives and anti-ulcer agents containing the same NISSHIN FLOUR MILLING CO., LTD. (JP) 1990-03-06 US disclosed
EP-0304842-A2 Isoprenoid derivatives and anti-ulcer agents containing the same NISSHIN FLOUR MILLING CO., LTD. (JP) 1989-03-01 EP disclosed
US-4246103-A INHIBIT PRECIPITATION OF HARD WATER IONS ESPECIALLY FOR INDUSTRIAL WATER AND SLUDGE BAYER AKTIENGESELLSCHAFT (DE) 1981-01-20 US disclosed
US-3983243-A INSECTICIDES HOFFMANN-LA ROCHE INC. (US) 1976-09-28 US disclosed
US-3962428-A JUVENILE HORMONE HOFFMANN-LA ROCHE INC. (US) 1976-06-08 US disclosed
US-3961051-A INSECTICIDES HOFFMANN-LA ROCHE INC. (US) 1976-06-01 US disclosed