Butanedione

Butanedione

SCHEMBL1925936

CC(=O)C(C)=O.OCCO

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.64
THPO P40225 1/20 0.64
ALDH1A1 P00352 4/20 0.42
LMNA P02545 3/20 0.42
CA4 P22748 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
FFAR3 O14843 1/20 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
TRPA1 O75762 1/20 0.38
CA1 P00915 2/20 0.36
BLM P54132 2/20 0.36
PMP22 Q01453 2/20 0.36
ALOX15 P16050 1/20 0.36
THRB P10828 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CES1 P23141 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
Acetone SCHEMBL4650155 0.86 LMNA (0.60) TSHRTHPOALDH1A1LMNATDP1
Butanedione SCHEMBL169087 0.86
Acetone SCHEMBL3726673 0.86 LMNA (0.60) TSHRTHPOALDH1A1LMNATDP1
Acetone SCHEMBL689569 0.86
Acetic Acid SCHEMBL10486423 0.84 FFAR3 (0.54) TSHRTHPOALDH1A1LMNATDP1
Acetic Acid SCHEMBL1578192 0.82 FFAR3 (0.64) TSHRTHPOALDH1A1LMNATDP1
Acetic Acid SCHEMBL2516097 0.82 FFAR3 (0.64) TSHRTHPOALDH1A1LMNATDP1
Acetic Acid SCHEMBL1879030 0.82 FFAR3 (0.64) TSHRTHPOALDH1A1LMNATDP1
Acetic Acid SCHEMBL7784606 0.82 FFAR3 (0.64) TSHRTHPOALDH1A1LMNATDP1
Acetic Acid SCHEMBL139024 0.82 FFAR3 (0.64) TSHRTHPOALDH1A1LMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113438992-A Isocyanate-free adhesives 隆萨解决方案股份公司 2021-09-24 CN claimed
CN-102712566-B Synthesis of Acetoxyacetaldehyde LEK PHARMACEUTICALS D.D. (SI) 2015-11-25 CN claimed
EP-2504309-B1 Synthesis of acetoxyacetaldehyde LEK PHARMACEUTICALS (SI) 2014-08-06 EP claimed
EP-2504309-A1 SYNTHESIS OF ACETOXYACETALDEHYDE LEK Pharmaceuticals d.d. (SI) 2012-10-03 EP claimed
WO-2011064249-A1 SYNTHESIS OF ACETOXYACETALDEHYDE LEK PHARMACEUTICALS D.D. (SI) 2011-06-03 WO claimed
EP-2327683-A1 Synthesis of acetoxyacetaldehyde LEK Pharmaceuticals d.d. (SI) 2011-06-01 EP claimed
CN-1320046-A Drug composition for topical administration SUNTORY LTD (JP) 2001-10-31 CN claimed
EP-0648211-B1 SYNTHESIS OF 1,4,7-TRIAZACYCLONONANE DERIVATIVES UNILEVER PLC (GB) 2001-04-11 EP claimed
JP-2788550-B2 1998-08-20 JP claimed
EP-0648211-A1 SYNTHESIS OF 1,4,7-TRIAZACYCLONONANE DERIVATIVES UNILEVER PLC (GB) 1995-04-19 EP claimed
US-5284944-A Improved synthesis of 1,4,7-triazacyclononane LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1994-02-08 US claimed
WO-1994000439-A1 SYNTHESIS OF 1,4,7-TRIAZACYCLONONANE DERIVATIVES UNILEVER PLC (GB) 1994-01-06 WO claimed
US-4983385-A For wet body surface, water-soluble polymer hydrogel, methacrylate copolymer, solubilizer SUNSTAR KABUSHIKI KAISHA (JP) 1991-01-08 US claimed
JP-63290817-A None JP disclosed
WO-2024095854-A1 SULFUR-CONTAINING MATERIAL FOR POSITIVE ELECTRODE ACTIVE MATERIALS, LITHIUM ION SECONDARY BATTERY, METHOD FOR CHARGING AND DISCHARGING LITHIUM ION SECONDARY BATTERY, AND COMPOSITION FOR FORMING POSITIVE ELECTRODE ACTIVE MATERIAL LAYER 株式会社ADEKA 2024-05-10 WO disclosed
US-20240128461-A1 CONDUCTIVE UNDERCOATING AGENT ADEKA CORPORATION (JP) 2024-04-18 US disclosed
US-5284944-A Improved synthesis of 1,4,7-triazacyclononane LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1994-02-08 US disclosed
WO-1994000439-A1 SYNTHESIS OF 1,4,7-TRIAZACYCLONONANE DERIVATIVES UNILEVER PLC (GB) 1994-01-06 WO disclosed
US-4983385-A For wet body surface, water-soluble polymer hydrogel, methacrylate copolymer, solubilizer SUNSTAR KABUSHIKI KAISHA (JP) 1991-01-08 US disclosed
JP-S63290817-A TRANSPARENT OINTMENT BASE SUNSTAR INC 1988-11-28 JP disclosed