SCHEMBL8968866

SCHEMBL8968866

CCCc1ccc(-c2ccc(C#Cc3ccc(OCC)nc3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACACB O00763 19/20 0.62

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
SCHEMBL8969929 0.96 ACACB (0.66) ACACB
SCHEMBL9158789 0.84 ACACB (0.46) ACACB
SCHEMBL8969875 0.83 MAPT (0.46) ACACB
SCHEMBL9154491 0.79 GRM5 (0.44) ACACB
SCHEMBL20784571 0.78 MAPT (0.49) ACACB
SCHEMBL9157927 0.77 ACACB (0.44) ACACB
SCHEMBL255792 0.77 ACACB (1.00) ACACB
SCHEMBL8753212 0.76 ACACB (0.60) ACACB
SCHEMBL9160206 0.76 MTOR (0.50) ACACB
SCHEMBL9751879 0.76 ACACB (0.40) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0445257-B1 PYRIDINE DERIVATIVES AND A LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 1996-03-13 EP disclosed
US-5204477-A PYRIDINE DERIVATIVES IN LIQUID CRYSTALLINE MEDIUM USEFUL FOR ELECTROOPTICAL DISPLAY ELEMENTS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-04-20 US disclosed
EP-0445257-A1 PYRIDINE DERIVATIVES AND A LIQUID CRYSTAL MEDIUM. MERCK PATENT GMBH (DE) 1991-09-11 EP disclosed
WO-1991004249-A1 PYRIDINE DERIVATIVES AND A LIQUID CRYSTAL MEDIUM MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1991-04-04 WO disclosed