SCHEMBL28015454

SCHEMBL28015454

COS(=O)(=O)c1ccc(C)cc1.[Co]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.54
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA12 O43570 1/20 0.50
CA3 P07451 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
TLR9 Q9NR96 1/20 0.48
VDR P11473 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 3/20 0.45
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP13 P45452 1/20 0.45
CYP3A4 P08684 1/20 0.45

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
SCHEMBL27524 0.98 GAA (0.56) GAACA1CA2CA12CA3
SCHEMBL9901122 0.98 GAA (0.56) GAACA1CA2CA12CA3
Ammonia Solution, Strong SCHEMBL5745515 0.95 GAA (0.54) GAACA1CA2CA12CA3
SCHEMBL20531023 0.95 GAA (0.54) GAACA1CA2CA12CA3
Water SCHEMBL8799285 0.95 GAA (0.54) GAACA1CA2CA12CA3
Hydrochloric Acid SCHEMBL30741454 0.95 GAA (0.54) GAACA1CA2CA12CA3
Phosphine SCHEMBL3419219 0.95 GAA (0.54) GAACA1CA2CA12CA3
SCHEMBL3617700 0.95 GAA (0.54) GAACA1CA2CA12CA3
Bromide SCHEMBL30687778 0.95 GAA (0.54) GAACA1CA2CA12CA3
SCHEMBL28015450 0.95 GAA (0.54) GAACA1CA2CA12CA3

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
CN-104637689-B Electrolyte, method for manufacturing the same, composition for forming the same, and capacitor comprising the same 财团法人工业技术研究院 2017-07-07 CN disclosed
CN-104637689-A Electrolyte, method for manufacturing the same, composition for forming the same, and capacitor comprising the same IND TECH RES INST 2015-05-20 CN disclosed