SCHEMBL20108189

SCHEMBL20108189

CCCn1c(C)nn(-c2cc(OCC(F)(F)F)c(C(=O)Nc3c(F)cccc3F)cc2F)c1=O

nearest known ligand 0.77

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 20/20 0.77

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
SCHEMBL20108048 0.94 DHODH (0.69) DHODH
SCHEMBL20108001 0.93 DHODH (0.67) DHODH
SCHEMBL20108049 0.90 DHODH (0.64) DHODH
SCHEMBL20107691 0.89 DHODH (0.78) DHODH
SCHEMBL20107714 0.88 DHODH (0.78) DHODH
SCHEMBL26686928 0.87 DHODH (1.00) DHODH
SCHEMBL29815385 0.87 DHODH (1.00) DHODH
SCHEMBL20108190 0.87 DHODH (1.00) DHODH
SCHEMBL24282481 0.86 DHODH (0.77) DHODH
SCHEMBL20108255 0.86 DHODH (0.77) 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