SCHEMBL20530491

SCHEMBL20530491

CCC[C@H]1OC(C)(C)OC[C@H]1CC

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 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
SCHEMBL17693683 1.00 CA2 (0.31) CA2
SCHEMBL18385979 0.86 CA2 (0.33) CA2
SCHEMBL10574870 0.82
SCHEMBL10780493 0.81 CA2 (0.31) CA2
SCHEMBL9147091 0.78 CA2 (0.32) CA2
SCHEMBL9145438 0.78 CA2 (0.32) CA2
SCHEMBL11710000 0.75
SCHEMBL11710288 0.73
SCHEMBL16215030 0.73 CA2 (0.34) CA2
SCHEMBL13108176 0.73 CA2 (0.40) CA2

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-20200165640-A1 FRUCTOSE-6-PHOSPHATE ALDOLASE VARIANTS FOR ALDOL CARBOLIGATIONS SUSTAINABLE MOMENTUM, S.L. (ES) 2020-05-28 US disclosed
US-20200165640-A1 FRUCTOSE-6-PHOSPHATE ALDOLASE VARIANTS FOR ALDOL CARBOLIGATIONS SUSTAINABLE MOMENTUM, S.L. (ES) 2020-05-28 US disclosed
CN-110945122-A Fructose-6-phosphate aldolase variants for aldol condensation carbon linking 西班牙高等科研理事会 2020-03-31 CN disclosed
EP-3388518-A1 FRUCTOSE-6-PHOSPHATE ALDOLASE VARIANTS FOR ALDOL CARBOLIGATIONS Consejo Superior de Investigaciones Cientificas (CSIC) (ES) 2018-10-17 EP disclosed