SCHEMBL16214691

SCHEMBL16214691

CCNC(=O)C(C)c1ccc(C#Cc2ccc(OC3CCC3)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 20/20 0.69

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
SCHEMBL16214692 0.98 ACACB (0.69) ACACB
SCHEMBL16214694 0.95 ACACB (0.64) ACACB
SCHEMBL16235542 0.82 ACACB (1.00) ACACB
SCHEMBL16235540 0.82 ACACB (1.00) ACACB
SCHEMBL11969450 0.81 ACACB (0.58) ACACB
SCHEMBL16214700 0.81 ACACB (0.64) ACACB
SCHEMBL16255176 0.79 ACACB (1.00) ACACB
SCHEMBL16214693 0.79 ACACB (0.65) ACACB
SCHEMBL16240171 0.79 ACACB (0.57) ACACB
SCHEMBL16240173 0.79 ACACB (0.57) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2614054-B1 ETHYNE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2014-11-19 — — EP disclosed
US-8877754-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-04 — — US disclosed
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