SCHEMBL983876

SCHEMBL983876

CC1CCC(I)(I)C(=O)O1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL979754 0.77
SCHEMBL576449 0.76 CA1 (0.43) CA1CA9SMN1; SMN2
SCHEMBL980988 0.74 CA1 (0.41) CA1CA9SMN1; SMN2
SCHEMBL576854 0.74 CA1 (0.46) CA1CA9SMN1; SMN2
SCHEMBL981156 0.74 CA1 (0.41) CA1CA9SMN1; SMN2
SCHEMBL577469 0.69 CA1 (0.38) CA1CA9SMN1; SMN2
SCHEMBL577414 0.69 CA1 (0.38) CA1CA9SMN1; SMN2
SCHEMBL11309877 0.67 CA1 (0.43) CA1CA9SMN1; SMN2
SCHEMBL20079554 0.67
SCHEMBL576947 0.66 MAPK1 (0.45) SMN1; SMN2

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-20110014504-A1 LITHIUM SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2011-01-20 US disclosed
US-20080311478-A1 Lithium Secondary Battery MITSUBISHI CHEMICAL CORPORATION (JP) 2008-12-18 US disclosed
EP-1892789-A1 LITHIUM SECONDARY BATTERY Mitsubishi Chemical Corporation (JP) 2008-02-27 EP disclosed