SCHEMBL16319103

SCHEMBL16319103

COc1ccc(F)c(-c2ccc(OCc3cccc(C(CC(=O)O)C4CC4)c3)cc2CC(C)(C)C#N)c1

nearest known ligand 0.76

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 20/20 0.76

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
SCHEMBL16318624 0.92 FFAR1 (0.90) FFAR1
SCHEMBL16318492 0.92 FFAR1 (0.64) FFAR1
SCHEMBL16318574 0.90 FFAR1 (0.78) FFAR1
SCHEMBL15213175 0.90 FFAR1 (0.78) FFAR1
SCHEMBL15213176 0.89 FFAR1 (0.78) FFAR1
SCHEMBL16319185 0.89 FFAR1 (0.77) FFAR1
SCHEMBL16318800 0.89 FFAR1 (0.84) FFAR1
SCHEMBL16318817 0.89 FFAR1 (0.84) FFAR1
SCHEMBL16318963 0.88 FFAR1 (0.83) FFAR1
SCHEMBL16319112 0.88 FFAR1 (0.62) FFAR1

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
US-9382188-B2 Aromatic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-07-05 US disclosed
US-9382188-B2 Aromatic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-07-05 US disclosed
US-9382188-B2 Aromatic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-07-05 US disclosed
EP-2816023-A1 AROMATIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2014-12-24 EP disclosed