SCHEMBL3630697

SCHEMBL3630697

CCC(O)(O)CCC(C)O

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL1702054 0.77 TSHR (0.36) TSHRMAPK1TDP1ALDH1A1
SCHEMBL28283101 0.75 TSHR (0.35) TSHRALDH1A1
SCHEMBL14527641 0.75 THRB (0.42) ALDH1A1
SCHEMBL4785678 0.75
SCHEMBL1660032 0.74 TSHR (0.38) TSHRMAPK1TDP1ALDH1A1
SCHEMBL13060863 0.74 TSHR (0.38) TSHRMAPK1TDP1ALDH1A1
SCHEMBL28283117 0.73 TSHR (0.33) TSHRMAPK1
SCHEMBL755307 0.72
SCHEMBL29068741 0.72
SCHEMBL10884961 0.72 CES1 (0.34) MAPK1HSD17B10

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-8338055-B2 System and method for electrochemical energy conversion and storage GENERAL ELECTRIC COMPANY (US) 2012-12-25 US disclosed
US-20100055513-A1 SYSTEM AND METHOD FOR ELECTROCHEMICAL ENERGY CONVERSION AND STORAGE GENERAL ELECTRIC COMPANY (US) 2010-03-04 US disclosed