SCHEMBL20108114

SCHEMBL20108114

CCn1c(CO)nn(-c2cc(OCC(F)(F)F)c(C(=O)Nc3c(C)ccnc3OC)cc2F)c1=O

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
SCHEMBL20107762 0.91 DHODH (0.80) DHODH
SCHEMBL20108115 0.89 DHODH (1.00) DHODH
SCHEMBL22713080 0.89 DHODH (1.00) DHODH
SCHEMBL29815810 0.89 DHODH (1.00) DHODH
SCHEMBL20107738 0.88 DHODH (0.78) DHODH
SCHEMBL20108196 0.88 DHODH (0.84) DHODH
SCHEMBL28953357 0.86 DHODH (0.80) DHODH
SCHEMBL20108233 0.86 DHODH (0.77) DHODH
SCHEMBL20107893 0.85 DHODH (0.68) DHODH
SCHEMBL20108174 0.85 DHODH (0.79) 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