SCHEMBL20108180

SCHEMBL20108180

C=CCCOc1cc(-n2nc(CC)n(C)c2=O)c(F)cc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 20/20 0.55

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
SCHEMBL20107585 0.89 DHODH (0.53) DHODH
SCHEMBL20107890 0.85 DHODH (0.50) DHODH
SCHEMBL29816611 0.83 DHODH (0.78) DHODH
SCHEMBL21853501 0.83 DHODH (0.78) DHODH
SCHEMBL20108178 0.83 DHODH (0.78) DHODH
SCHEMBL20108083 0.81 DHODH (0.56) DHODH
SCHEMBL20108179 0.80 DHODH (0.47) DHODH
SCHEMBL28305186 0.80 DHODH (0.53) DHODH
SCHEMBL20107649 0.79 DHODH (0.59) DHODH
SCHEMBL20107588 0.78 DHODH (0.51) 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