Acetone

Acetone

SCHEMBL28065830

C=O.CC(C)(C)c1ccc(O)cc1.CC(C)=O

nearest known ligand 0.73

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.73
TYR P14679 1/20 0.73
ESRRG P62508 8/20 0.54
ESR1 P03372 4/20 0.52
ESR2 Q92731 4/20 0.52
CYP3A4 P08684 3/20 0.52
AR P10275 1/20 0.52
HPGD P15428 1/20 0.52
TSHR P16473 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A4 P31645 1/20 0.52
HTR6 P50406 1/20 0.52
SLC6A3 Q01959 1/20 0.52
HSD17B10 Q99714 1/20 0.52
ESRRB O95718 2/20 0.49
UQCRB P14927 1/20 0.49
HDAC1 Q13547 1/20 0.47
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.46
SRD5A2 P31213 1/20 0.45

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
Formaldehyde SCHEMBL332381 0.93 LMNA (0.84) LMNATYRESRRGESR1ESR2
Urea SCHEMBL27350114 0.89 LMNA (0.70) LMNATYRESRRGESR1ESR2
Acetic Acid SCHEMBL28546342 0.88 LMNA (0.76) LMNATYRESRRGESR1ESR2
Formaldehyde SCHEMBL22263465 0.88 LMNA (0.76) LMNATYRESRRGESR1ESR2
Bicarbonate SCHEMBL27559753 0.86 LMNA (0.80) LMNATYRESRRGESR1ESR2
SCHEMBL19157 0.85 LMNA (1.00) LMNATYRESRRGESR1ESR2
Phenol SCHEMBL1876705 0.84 LMNA (0.70) LMNATYRESRRGESR1ESR2
Hydrogen Sulfide SCHEMBL1975873 0.83 LMNA (0.94) LMNATYRESRRGESR1ESR2
Hydrochloric Acid SCHEMBL6851208 0.83 LMNA (0.94) LMNATYRESRRGESR1ESR2
SCHEMBL8980535 0.83 LMNA (0.94) LMNATYRESRRGESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105575462-B A kind of sulfonated acetone formaldehyde condensation products disperse poly- 3,4 ethylenedioxy thiophene electrically conductive composite and preparation and application 华南理工大学 2017-08-25 CN disclosed
CN-105575462-A Conductive compound prepared by scattering and polymerizing 3,4-ethylenedioxythiophene on sulfonated acetone-formaldehyde condensate as well as preparation method and application of conductive compound UNIV SOUTH CHINA TECH 2016-05-11 CN disclosed