SCHEMBL29512929

SCHEMBL29512929

C[C@@H](Oc1cc(-n2nc3n(c2=O)CCCC3)c(F)cc1C(=O)O)C(F)(F)F

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
SCHEMBL20112561 1.00 DHODH (0.77) DHODH
SCHEMBL29512851 1.00 DHODH (0.77) DHODH
SCHEMBL20112368 1.00 DHODH (0.77) DHODH
SCHEMBL20112367 1.00 DHODH (0.77) DHODH
SCHEMBL20112751 0.90 DHODH (0.72) DHODH
SCHEMBL29512886 0.90 DHODH (0.72) DHODH
SCHEMBL20112154 0.88 DHODH (0.75) DHODH
SCHEMBL29512835 0.88 DHODH (0.75) DHODH
SCHEMBL27205087 0.88 DHODH (0.75) DHODH
SCHEMBL23185917 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110248937-B 4, 5-Cyclic 1,2, 4-triazolones 拜耳股份有限公司 2022-03-29 CN disclosed