SCHEMBL11035542

SCHEMBL11035542

C=CCC(C)(C=C)OC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
TRPC6 Q9Y210 1/20 0.32
MAPT P10636 1/20 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
SCHEMBL2143318 0.82 ALDH1A1 (0.35)
SCHEMBL11090970 0.81 GAA (0.40) GAATRPC6
SCHEMBL8334725 0.79 GAA (0.39) GAATRPC6
SCHEMBL11440399 0.79 GAA (0.39) GAATRPC6
SCHEMBL5804465 0.78 GAA (0.41) GAAMAPT
SCHEMBL9789476 0.78 GAA (0.36) GAA
SCHEMBL9789479 0.78 GAA (0.36) GAA
SCHEMBL5690439 0.78 GAA (0.38) GAATRPC6
SCHEMBL7990083 0.76 GAA (0.38) GAAMAPT
SCHEMBL10778866 0.75 GAA (0.39) GAATRPC6MAPT

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-4521342-A Preparation of 2-alkyl-4,4-diacyloxybut-2-enals BASF AKTIENGESELLSCHAFT (DE) 1985-06-04 US disclosed
EP-0089585-B1 PROCESS FOR THE PREPARATION OF 2-ALKYL-4,4-DIACYLOXY-2-BUTENALS BASF Aktiengesellschaft (DE) 1984-12-19 EP disclosed
EP-0089585-A1 Process for the preparation of 2-alkyl-4,4-diacyloxy-2-butenals BASF Aktiengesellschaft (DE) 1983-09-28 EP disclosed