SCHEMBL13324946

SCHEMBL13324946

CCCCC(CC)CC1(CC(CC)CCCC)c2cc(C)ccc2-c2ccc(-c3ccc(-c4ccc(C)s4)s3)cc21

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 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
SCHEMBL12744353 0.96 PFKFB3 (0.30) PFKFB3
SCHEMBL16884885 0.92
SCHEMBL12131060 0.90
SCHEMBL12131065 0.88 KDM4E (0.31)
SCHEMBL12131073 0.87
SCHEMBL12131057 0.87 NPC1 (0.32)
SCHEMBL12131071 0.87 KDM4E (0.30)
SCHEMBL12131058 0.87 SMN1; SMN2 (0.30)
SCHEMBL12131059 0.86
SCHEMBL12131056 0.86

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718734-B2 Organic semiconducting materials MERCK PATENT GMBH (DE) 2010-05-18 US disclosed