Acetone

Acetone

SCHEMBL28340425

CC(C)=O.O=C(O)CC(CO)CO

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 2/20 0.43
CACNB3 P54284 1/20 0.43
CACNA1C Q13936 1/20 0.43
PGR P06401 1/20 0.43
ADRA1A P35348 1/20 0.43
HTR2B P41595 1/20 0.43
CACNA2D2 Q9NY47 1/20 0.43
SLC22A6 Q4U2R8 1/20 0.41
TDP1 Q9NUW8 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.35
GABRR1 P24046 2/20 0.35
LMNA P02545 2/20 0.35
MME P08473 2/20 0.33
ALDH1A1 P00352 1/20 0.33
FFAR3 O14843 1/20 0.33
OR51E2 Q9H255 1/20 0.33
SLC15A2 Q16348 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
SCHEMBL45197 0.91
Alcohol SCHEMBL28947608 0.89 CACNA2D1 (0.43) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL1100230 0.88 SLC22A6 (0.45) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL5080081 0.88 SLC22A6 (0.45) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL5905762 0.88 SLC22A6 (0.45) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL5144412 0.88 SLC22A6 (0.45) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL5165804 0.88 SLC22A6 (0.45) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL5905658 0.88 SLC22A6 (0.45) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL5144811 0.88 SLC22A6 (0.45) CACNA2D1CACNB3CACNA1CPGRADRA1A
Ammonia Solution, Strong SCHEMBL10355456 0.88 TDP1 (0.50) CACNA2D1CACNB3CACNA1CPGRADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108912973-B Water-based primer applied to vacuum aluminum plating and preparation method thereof 泉州市三星精细化工有限公司 2020-08-25 CN claimed
CN-110607122-A Multifunctional self-repairing polyurethane mesh coating and preparation method thereof 无锡新而奇化工科技有限公司 2019-12-24 CN claimed
CN-108912973-B Water-based primer applied to vacuum aluminum plating and preparation method thereof 泉州市三星精细化工有限公司 2020-08-25 CN disclosed
CN-110607122-A Multifunctional self-repairing polyurethane mesh coating and preparation method thereof 无锡新而奇化工科技有限公司 2019-12-24 CN disclosed