Butane

Butane

SCHEMBL9015629

CC(=O)OC(=O)CCC(=O)OC(C)=O.CCCC

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.57
TSHR P16473 3/20 0.47
TDP1 Q9NUW8 3/20 0.40
HSD17B10 Q99714 2/20 0.39
LMNA P02545 1/20 0.39
CES1 P23141 3/20 0.36
CES2 O00748 2/20 0.36
FFAR3 O14843 3/20 0.35
HDAC3 O15379 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
NAAA Q02083 1/20 0.34
DGKA P23743 1/20 0.34

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
SCHEMBL35205 0.91 ALDH1A1 (0.56) ALDH1A1TSHRTDP1HSD17B10LMNA
Butane SCHEMBL6656493 0.91 ALDH1A1 (0.48) ALDH1A1TSHRTDP1HSD17B10LMNA
SCHEMBL24421 0.89
SCHEMBL9861711 0.88 ALDH1A1 (0.53) ALDH1A1TSHRTDP1HSD17B10LMNA
SCHEMBL27533403 0.88 ALDH1A1 (0.53) ALDH1A1TSHRTDP1HSD17B10LMNA
SCHEMBL28252231 0.88 ALDH1A1 (0.53) ALDH1A1TSHRTDP1HSD17B10LMNA
SCHEMBL10776617 0.88 ALDH1A1 (0.53) ALDH1A1TSHRTDP1HSD17B10LMNA
SCHEMBL23739296 0.86 ALDH1A1 (0.55) ALDH1A1TSHRTDP1HSD17B10LMNA
SCHEMBL17159928 0.86 ALDH1A1 (0.70) ALDH1A1TSHRTDP1HSD17B10LMNA
SCHEMBL21753843 0.86 ALDH1A1 (0.70) ALDH1A1TSHRTDP1HSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113563146-B Catalytic oxidation device and method 苏州大学 2022-08-30 CN disclosed
CN-113563146-A Catalytic oxidation device and method 苏州大学 2021-10-29 CN disclosed
CN-213169477-U 2, 5-hexanedione odor-proof diffusion sealing device 枣庄九星生物科技有限公司 2021-05-11 CN disclosed
CN-110845333-A Synthetic method of 2, 5-hexanedione 怀化金鑫新材料有限公司 2020-02-28 CN disclosed
US-5486451-A FORMING A DISPERSION OF SILVER HALIDE GRAINS IN THE PRESENCE OF A HYDROPHILIC COLLOID AND REMOVING BY-PRODUCTS BY LOWERING THE PH TO BRING ABOUT COAGULATION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-01-23 US disclosed
EP-0645672-A1 Method for preparing silver halide photographic emulsions MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-03-29 EP disclosed