SCHEMBL3628894

SCHEMBL3628894

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

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL3630572 0.79 CYP2D6 (0.32)
SCHEMBL3629050 0.79 TSHR (0.56) ALDH1A1TSHR
SCHEMBL3626588 0.74 ALDH1A1 (0.37) ALDH1A1TSHR
SCHEMBL19239850 0.73
SCHEMBL2309685 0.69
SCHEMBL13356159 0.68 MAPT (0.54) ALDH1A1TSHR
SCHEMBL9776518 0.68 CYP1A2 (0.40) TSHR
SCHEMBL1988202 0.68 ALDH1A1 (0.50) ALDH1A1TSHR
SCHEMBL6557587 0.68 ALDH1A1 (0.50) ALDH1A1TSHR
SCHEMBL28371728 0.67

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
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