SCHEMBL2991836

SCHEMBL2991836

CCC(CC)C(=O)CCP(=O)(O)O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.39
LAP3 P28838 1/20 0.39
LPAR3 Q9UBY5 3/20 0.38
LPAR2 Q9HBW0 1/20 0.38
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
GCLC P48506 1/20 0.38
TYMS P04818 1/20 0.36
ANPEP P15144 1/20 0.35
FDPS P14324 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL2990606 0.87 LPAR3 (0.45) FOLH1LPAR3LPAR2TYMSALDH1A1
SCHEMBL2990569 0.83 FDPS (0.46) FOLH1LPAR3LPAR2TSHRFDPS
SCHEMBL328134 0.77 USP2 (0.43) USP2TSHR
SCHEMBL2988737 0.76 ALDH1A1 (0.41) FOLH1LPAR3LPAR2TYMSANPEP
SCHEMBL263667 0.76 LAP3 (0.42) LAP3USP2TSHRGCLCFDPS
SCHEMBL2989915 0.72 FOLH1 (0.36) FOLH1TYMSALDH1A1
SCHEMBL2990048 0.72 FOLH1 (0.36) FOLH1TYMSALDH1A1
SCHEMBL9883262 0.72 CES2 (0.45) USP2TSHRALDH1A1
Potassium SCHEMBL31652342 0.72 USP2 (0.50) USP2TSHRTDP1
SCHEMBL14285857 0.72 USP2 (0.50) USP2TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962192-B2 Nonaqueous electrolytic solution and nonaqueous electrolyte battery MITSUBISHI CHEMICAL CORPORATION (JP) 2015-02-24 US disclosed
US-8574757-B2 Nonaqueous electrolytic solution and nonaqueous electrolyte battery MITSUBISHI CHEMICAL CORPORATION (JP) 2013-11-05 US disclosed
US-20120264011-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-10-18 US disclosed
US-20100035147-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2010-02-11 US disclosed