SCHEMBL20834902

SCHEMBL20834902

CCCc1ccc(C#Cc2cc(F)c(SC#N)c(F)c2)c(C2CC2)c1F

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.30
FFAR4 Q5NUL3 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
SCHEMBL20834868 0.94 TYR (0.30)
SCHEMBL20834909 0.93 MEN1 (0.31)
SCHEMBL23310012 0.83 FFAR1 (0.31) FFAR1FFAR4
SCHEMBL23310001 0.83 FFAR1 (0.33) FFAR1FFAR4
SCHEMBL20834913 0.81 FFAR1 (0.31) FFAR1FFAR4
SCHEMBL20834897 0.81 FFAR1 (0.31) FFAR1FFAR4
SCHEMBL20834908 0.79
SCHEMBL23310015 0.77 TYR (0.33) FFAR1FFAR4
SCHEMBL20834940 0.77 MGLL (0.32) FFAR1FFAR4
SCHEMBL23309988 0.76 TYR (0.34) FFAR1FFAR4

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-3681976-B1 ISOTHIOCYANATO TOLANE DERIVATIVES MERCK PATENT GMBH (DE) 2021-05-26 EP disclosed
US-20210122977-A1 ISOTHIOCYANATO TOLANE DERIVATIVES MERCK PATENT GMBH (DE) 2021-04-29 US disclosed
WO-2019052972-A1 ISOTHIOCYANATO TOLANE DERIVATIVES MERCK PATENT GMBH (DE) 2019-03-21 WO disclosed