SCHEMBL20108022

SCHEMBL20108022

CCn1c(C(=O)O)nn(-c2ccc(C(=O)Nc3c(F)cccc3Cl)c(OCC(F)(F)F)c2)c1=O

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
SCHEMBL20108000 0.94 DHODH (0.77) DHODH
SCHEMBL21918086 0.89 DHODH (0.80) DHODH
SCHEMBL20107982 0.89 DHODH (0.78) DHODH
SCHEMBL20108243 0.89 DHODH (0.78) DHODH
SCHEMBL21853366 0.88 DHODH (1.00) DHODH
SCHEMBL29815363 0.88 DHODH (1.00) DHODH
SCHEMBL20108029 0.88 DHODH (1.00) DHODH
SCHEMBL20108172 0.86 DHODH (0.78) DHODH
SCHEMBL20107779 0.85 DHODH (1.00) DHODH
SCHEMBL29815804 0.85 DHODH (1.00) 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