SCHEMBL4950591

SCHEMBL4950591

O=C1OCCCCC1(Br)Br

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL980275 0.93
SCHEMBL981383 0.82
SCHEMBL1080541 0.78 CA1 (0.39) CA1CA9
SCHEMBL9247017 0.78 CA1 (0.39) CA1CA9
SCHEMBL8590344 0.78 CA1 (0.39) CA1CA9
SCHEMBL7112607 0.75 CA1 (0.40) CA1CA9
SCHEMBL9339692 0.73 CA1 (0.39) CA1CA9
SCHEMBL1747628 0.73 CA1 (0.39) CA1CA9
SCHEMBL430902 0.73 CA1 (0.39) CA1CA9
SCHEMBL28737091 0.73 ALDH1A1 (0.36) CA1CA9

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-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