SCHEMBL3627883

SCHEMBL3627883

CC#CC(CC(C)=O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
FFAR1 O14842 7/20 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
SCHEMBL576639 0.76
SCHEMBL28155378 0.74 ALDH1A1 (0.40) ALDH1A1TDP1
SCHEMBL10010696 0.73 CHRM1 (0.46) TDP1FFAR1
SCHEMBL10011518 0.71 GRIK1 (0.38)
SCHEMBL15439111 0.70
SCHEMBL7557797 0.68 GPR84 (0.48) FFAR1
SCHEMBL3839930 0.68 GPR84 (0.48) FFAR1
SCHEMBL21848034 0.68 GRIK1 (0.42)
SCHEMBL22148380 0.68 TDP1 (0.32) TDP1
SCHEMBL10012006 0.68 SLC1A2 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7695863-B2 rechargeable batteries having excellent battery cycle properties, electrical capacity and storage characteristic during charging, comprising electrodes and a nonaqueous electrolytic solution containing a dicarbonyl compound as an additive UBE INDUSTRIES, LTD. (JP) 2010-04-13 US claimed
US-7695863-B2 rechargeable batteries having excellent battery cycle properties, electrical capacity and storage characteristic during charging, comprising electrodes and a nonaqueous electrolytic solution containing a dicarbonyl compound as an additive UBE INDUSTRIES, LTD. (JP) 2010-04-13 US disclosed
US-20080102377-A1 rechargeable batteries having excellent battery cycle properties, electrical capacity and storage characteristic during charging, comprising electrodes and a nonaqueous electrolytic solution containing a dicarbonyl compound as an additive UBE INDUSTRIES, LTD (JP) 2008-05-01 US disclosed