SCHEMBL15075599

SCHEMBL15075599

COc1cc(OCC2CC2(F)F)ccc1N1CC(Oc2ccc([C@H](C)NC(C)=O)cc2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACACB O00763 20/20 1.00

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
SCHEMBL16481116 0.94 ACACB (1.00) ACACB
SCHEMBL17207097 0.94 ACACB (1.00) ACACB
SCHEMBL17691052 0.90 ACACB (1.00) ACACB
SCHEMBL15048106 0.90 ACACB (1.00) ACACB
SCHEMBL15048370 0.88 ACACB (1.00) ACACB
SCHEMBL15048364 0.87 ACACB (1.00) ACACB
SCHEMBL15075591 0.85 ACACB (1.00) ACACB
SCHEMBL15047978 0.85 ACACB (1.00) ACACB
SCHEMBL15048037 0.85 ACACB (1.00) ACACB
SCHEMBL15048336 0.85 ACACB (0.74) ACACB

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-2794586-B1 NEW AZIRIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS ACETYL-COA CARBOXYLASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2016-04-20 EP disclosed
US-8530460-B2 Azetidine derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-10 US disclosed
WO-2013092616-A1 NEW AZIRIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS ACETYL-COA CARBOXYLASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-27 WO disclosed