SCHEMBL1723575

SCHEMBL1723575

CC[C@H](S)C(=O)[O-].CC[C@H](S)C(=O)[O-].C[Sn+2]C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
CYP3A4 P08684 2/20 0.37
NFKB1 P19838 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
CA2 P00918 2/20 0.35
CA1 P00915 2/20 0.32
MME P08473 2/20 0.31
ACE P12821 2/20 0.31
CPA1 P15085 2/20 0.31
ACE2 Q9BYF1 2/20 0.31
RNPEP Q9H4A4 1/20 0.31
USP2 O75604 1/20 0.31
FFAR3 O14843 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31

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
SCHEMBL1723574 1.00 TSHR (0.37) TSHRCYP3A4NFKB1NPSR1CA2
Zinc Ion SCHEMBL6051638 0.90 TSHR (0.40) TSHRCYP3A4NFKB1NPSR1CA2
SCHEMBL921014 0.90
SCHEMBL9435258 0.90
Potassium Ion SCHEMBL7331283 0.90
SCHEMBL11217754 0.90 TSHR (0.40) TSHRCYP3A4NFKB1NPSR1CA2
SCHEMBL11546184 0.85 TSHR (0.37) TSHRCYP3A4NFKB1NPSR1CA2
SCHEMBL11545517 0.82 CYP3A4 (0.39) TSHRCYP3A4NFKB1NPSR1CA2
SCHEMBL18207988 0.81 NFKB1 (0.50) TSHRCYP3A4NFKB1NPSR1CA2
SCHEMBL21333565 0.79 CA2 (0.41) TSHRCYP3A4NFKB1NPSR1CA2

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
EP-1202373-B1 Nonaqueous electrolytic solution and nonaqueous secondary battery DENSO CORP (JP) 2012-01-18 EP disclosed
US-6872493-B2 Nonaqueous electrolytic solution and nonaqueous secondary battery DENSO CORPORATION (JP) 2005-03-29 US disclosed
US-20020076619-A1 Nonaqueous electrolytic solution and nonaqueous secondary battery ADEKA CORPORATION (JP) 2002-06-20 US disclosed
EP-1202373-A2 Nonaqueous electrolytic solution and nonaqueous secondary battery DENSO CORPORATION (JP) 2002-05-02 EP disclosed