SCHEMBL5046762

SCHEMBL5046762

O=C(O)C#CC=C(C(=O)O)c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.32

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
SCHEMBL9083517 0.69 GAA (0.36) GAA
SCHEMBL9083531 0.69 GAA (0.36) GAA
SCHEMBL6863800 0.63 AKR1C1 (0.62) GAA
SCHEMBL2506530 0.63 AKR1C1 (0.62) GAA
SCHEMBL11341198 0.60
SCHEMBL4592243 0.59 CES2 (0.52) GAA
SCHEMBL1881111 0.58
SCHEMBL29449985 0.58 CES2 (0.43) GAA
SCHEMBL336394 0.58 CES2 (0.43) GAA
SCHEMBL203915 0.58 CES2 (0.43) GAA

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
EP-1982988-B1 METHOD OF SYNTHESIS OF CIGUATOXIN CTX1B AND COMPOUNDS USEFUL FOR THE SYNTHESIS OF CIGUATOXIN CTX1B JAPAN SCIENCE & TECH AGENCY (JP) 2014-06-04 EP disclosed
EP-1982988-A1 METHOD FOR SYNTHESIS OF CIGUATOXIN CTX1B AND COMPOUND USEFUL FOR THE SYNTHESIS OF CIGUATOXIN CTX1B Japan Science and Technology Agency (JP) 2008-10-22 EP disclosed