SCHEMBL20108000

SCHEMBL20108000

CCn1c(C(=O)O)nn(-c2ccc(C(=O)Nc3c(F)cccc3F)c(OCC(F)(F)F)c2)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
SCHEMBL20108022 0.94 DHODH (0.78) DHODH
SCHEMBL24282096 0.88 DHODH (0.77) DHODH
SCHEMBL24282498 0.88 DHODH (0.77) DHODH
SCHEMBL29815329 0.87 DHODH (1.00) DHODH
SCHEMBL21853465 0.87 DHODH (1.00) DHODH
SCHEMBL20107999 0.87 DHODH (1.00) DHODH
SCHEMBL24282509 0.84 DHODH (0.78) DHODH
SCHEMBL28953393 0.84 DHODH (0.77) DHODH
SCHEMBL21918086 0.83 DHODH (0.80) DHODH
SCHEMBL20107982 0.83 DHODH (0.78) 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