SCHEMBL20107679

SCHEMBL20107679

CCC(C)c1nn(-c2cc(OCC(F)(F)F)c(C(=O)Nc3c(F)cccc3F)cc2F)c(=O)n1C

nearest known ligand 0.81

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 20/20 0.81

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
SCHEMBL20107943 0.90 DHODH (0.79) DHODH
SCHEMBL28823322 0.89 DHODH (1.00) DHODH
SCHEMBL29815425 0.89 DHODH (1.00) DHODH
SCHEMBL20107683 0.89 DHODH (1.00) DHODH
SCHEMBL20107936 0.88 DHODH (0.76) DHODH
SCHEMBL20108044 0.87 DHODH (0.80) DHODH
SCHEMBL20107925 0.87 DHODH (0.80) DHODH
SCHEMBL20108049 0.87 DHODH (0.64) DHODH
SCHEMBL20107937 0.86 DHODH (0.74) DHODH
SCHEMBL20107917 0.85 DHODH (0.80) 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