SCHEMBL20108149

SCHEMBL20108149

CCc1nn(-c2cc(OCC(F)(F)F)c(C(=O)Nc3c(F)cccc3F)cc2F)c(=O)n1CCO

nearest known ligand 0.78

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 20/20 0.78

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
SCHEMBL20108255 0.93 DHODH (0.77) DHODH
SCHEMBL20107936 0.91 DHODH (0.76) DHODH
SCHEMBL20108233 0.89 DHODH (0.77) DHODH
SCHEMBL21853495 0.87 DHODH (1.00) DHODH
SCHEMBL21853494 0.87 DHODH (1.00) DHODH
SCHEMBL20108142 0.87 DHODH (0.76) DHODH
SCHEMBL20107594 0.85 DHODH (0.79) DHODH
SCHEMBL20108024 0.85 DHODH (0.77) DHODH
SCHEMBL20108189 0.85 DHODH (0.77) DHODH
SCHEMBL20108001 0.85 DHODH (0.67) DHODH

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-3532468-B1 2,4,5-TRISUBSTITUTED 1,2,4-TRIAZOLONES USEFUL AS INHIBITORS OF DHODH BAYER AG (DE) 2022-03-23 EP disclosed
WO-2018077923-A1 2,4,5-TRISUBSTITUTED 1,2,4-TRIAZOLONES USEFUL AS INHIBITORS OF DHODH BAYER AKTIENGESELLSCHAFT (DE) 2018-05-03 WO disclosed