Acetone

Acetone

SCHEMBL28600700

CC(C)=O.COP(=O)(O)OC

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
ALDH1A1 P00352 3/20 0.39
CA2 P00918 2/20 0.35
PLA2G2A P14555 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.32
MMP2 P08253 2/20 0.32
MMP8 P22894 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
MMP1 P03956 1/20 0.32
MMP9 P14780 1/20 0.32
CA9 Q16790 1/20 0.32
TSHR P16473 1/20 0.32
FDPS P14324 1/20 0.32
BLM P54132 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CA4 P22748 1/20 0.30
MMP3 P08254 1/20 0.30
MGAM O43451 1/20 0.30
GAA P10253 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
SCHEMBL47754 0.89
SCHEMBL28223995 0.89 CA2 (0.43) LMNAALDH1A1CA2L3MBTL1MMP2
Hydrochloric Acid SCHEMBL1501990 0.86
SCHEMBL4074454 0.86
SCHEMBL10422682 0.86
SCHEMBL11677707 0.86
Phosphoric Acid SCHEMBL2899922 0.86 CA2 (0.40) LMNAALDH1A1CA2TSHRFDPS
SCHEMBL926171 0.86
SCHEMBL9583822 0.86
Ammonia Solution, Strong SCHEMBL524565 0.86

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112898340-B FSO (FSO)2N3Application in preparation of diazonium reagent 上海大学 2024-08-16 CN claimed
CN-113045426-B Synthesis method of dihydropyridine drug degradation impurities 济南良福精合医药科技有限公司 2023-03-21 CN claimed
CN-113045426-A Synthesis method of dihydropyridine drug degradation impurities 济南纽华医药科技有限公司 2021-06-29 CN claimed
CN-112898340-B FSO (FSO)2N3Application in preparation of diazonium reagent 上海大学 2024-08-16 CN disclosed
CN-113045426-B Synthesis method of dihydropyridine drug degradation impurities 济南良福精合医药科技有限公司 2023-03-21 CN disclosed
CN-113045426-B Synthesis method of dihydropyridine drug degradation impurities 济南良福精合医药科技有限公司 2023-03-21 CN disclosed
CN-113045426-A Synthesis method of dihydropyridine drug degradation impurities 济南纽华医药科技有限公司 2021-06-29 CN disclosed
CN-113045426-A Synthesis method of dihydropyridine drug degradation impurities 济南纽华医药科技有限公司 2021-06-29 CN disclosed