SCHEMBL20108111

SCHEMBL20108111

CCCC(C)Oc1cc(-n2nc(C(C)C)n(C)c2=O)c(F)cc1C(=O)NC(C)CO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 20/20 1.00

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
SCHEMBL20108108 1.00 DHODH (1.00) DHODH
SCHEMBL20107674 0.92 DHODH (1.00) DHODH
SCHEMBL20107670 0.92 DHODH (1.00) DHODH
SCHEMBL20108122 0.91 DHODH (0.87) DHODH
SCHEMBL21853361 0.91 DHODH (0.85) DHODH
SCHEMBL29815972 0.91 DHODH (0.85) DHODH
SCHEMBL20108012 0.91 DHODH (0.85) DHODH
SCHEMBL20108125 0.91 DHODH (0.87) DHODH
SCHEMBL20108013 0.91 DHODH (0.85) DHODH
SCHEMBL29639463 0.87 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