Butanone

Butanone

SCHEMBL8850752

CCC(C)=O.CCO[Si](CCCN)(OCC)OCC

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP1A2 P05177 2/20 0.39
PAOX Q6QHF9 4/20 0.39
CPB2 Q96IY4 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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 SCHEMBL9580123 0.94 CYP1A2 (0.41) ALDH1A1TDP1CYP1A2PAOXCPB2
Acetic Acid SCHEMBL9012983 0.92 CYP1A2 (0.39) ALDH1A1CYP1A2PAOXCPB2MEN1
Propionic Acid SCHEMBL8166953 0.90 FFAR3 (0.39) ALDH1A1CYP1A2PAOXCPB2MEN1
Bicarbonate SCHEMBL27040890 0.90 CYP1A2 (0.41) ALDH1A1CYP1A2PAOXCPB2MEN1
Carbamic Acid SCHEMBL28877191 0.88 CYP1A2 (0.39) ALDH1A1CYP1A2PAOXCPB2MEN1
Methyl Alcohol SCHEMBL9412777 0.87 CYP1A2 (0.35) ALDH1A1CYP1A2MEN1KMT2A
SCHEMBL18080 0.87 DNM1 (0.33) ALDH1A1CYP1A2MEN1KMT2A
SCHEMBL4804565 0.87 DNM1 (0.33) ALDH1A1CYP1A2MEN1KMT2A
Ethyl Acetate SCHEMBL29253079 0.87 ALDH1A1 (0.50) ALDH1A1CYP1A2PAOXCPB2LMNA
Bicarbonate SCHEMBL27996492 0.86 CYP1A2 (0.38) CYP1A2PAOXCPB2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112062923-B Waterborne polyurethane-urea dispersion for nail polish and preparation method thereof 温州国仕邦高分子材料有限公司 2022-04-15 CN claimed
CN-112062923-A Waterborne polyurethane-urea dispersion for nail polish and preparation method thereof 温州国仕邦高分子材料有限公司 2020-12-11 CN claimed
CN-112062923-B Waterborne polyurethane-urea dispersion for nail polish and preparation method thereof 温州国仕邦高分子材料有限公司 2022-04-15 CN disclosed
CN-112062923-A Waterborne polyurethane-urea dispersion for nail polish and preparation method thereof 温州国仕邦高分子材料有限公司 2020-12-11 CN disclosed
EP-0566272-B1 Room temperature fast-curing composition SHINETSU CHEMICAL CO (JP) 1997-07-30 EP disclosed
US-5319050-A Forming water through dehydration condensation SHIN-ETSU CHEMICAL CO., LTD. (JP) 1994-06-07 US disclosed
EP-0566272-A1 Room temperature fast-curing composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 1993-10-20 EP disclosed