Acetone

Acetone

SCHEMBL6229141

CC(C)=O.CC(F)(F)C(F)(F)C(O)(F)F

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
ALDH1A1 P00352 1/20 0.33
TSHR P16473 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
SCHEMBL129261 0.87
SCHEMBL30968709 0.84
Fluoride SCHEMBL31712128 0.84
SCHEMBL78817 0.78
SCHEMBL28226469 0.76 ALDH1A1 (0.58) ALDH1A1TSHR
Trifluoroacetic Acid SCHEMBL16569782 0.76 ALDH1A1 (0.41) ALDH1A1TSHR
SCHEMBL11357654 0.75
SCHEMBL10405313 0.75
SCHEMBL570558 0.75
SCHEMBL303732 0.75

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
WO-2005023939-A1 LIGHTFAST CYANINE DYE COMPOSITIONS FOR OPTICAL DATA RECORDING CLARIANT INTERNATIONAL LTD (CH) 2005-03-17 WO claimed
EP-1514906-A1 Lightfast cyanine dye compositions for optical data recording CLARIANT INTERNATIONAL LTD. (CH) 2005-03-16 EP claimed