SCHEMBL4046760

SCHEMBL4046760

O=C(O)OC1CC=CC=CC1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ABAT P80404 1/20 0.30

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
SCHEMBL6389555 0.90
SCHEMBL5185884 0.75
SCHEMBL9657499 0.75 LMNA (0.33)
SCHEMBL3175913 0.70 ABAT (0.48) ABAT
SCHEMBL1070625 0.69 CHRNA7 (0.32)
SCHEMBL126557 0.69 SERPINE1 (0.38)
SCHEMBL26834 0.69 SERPINE1 (0.38)
SCHEMBL14744313 0.69 CHRNA7 (0.32)
SCHEMBL1138479 0.69 SERPINE1 (0.38)
SCHEMBL10618631 0.69 CHRNA7 (0.32)

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
EP-2044035-A1 PROCESS FOR THE COVALENT COUPLING OF TWO MOLECULES BY MEANS OF A DIELS-ALDER REACTION WITH INVERSE ELECTRON REQUIREMENT Deutsches Krebsforschungszentrum, Stiftung des öffentlichen Rechts (DE) 2009-04-08 EP disclosed
WO-2007144200-A1 PROCESS FOR THE COVALENT COUPLING OF TWO MOLECULES BY MEANS OF A DIELS-ALDER REACTION WITH INVERSE ELECTRON REQUIREMENT Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) 2007-12-21 WO disclosed
EP-1867638-A1 Procedure for the Conection of two Molecules via Diels-Alder Reactions with Inverse Electron Demand Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) 2007-12-19 EP disclosed