SCHEMBL28964844

SCHEMBL28964844

COc1nccc(C)c1NC(=O)c1cc(F)c(-n2nc(C(C)(C)O)n(C)c2=O)cc1O[C@@H](CF)C(F)F

nearest known ligand 0.80

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 20/20 0.80

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
SCHEMBL29815297 0.89 DHODH (1.00) DHODH
SCHEMBL28953440 0.89 DHODH (0.79) DHODH
SCHEMBL22713102 0.89 DHODH (1.00) DHODH
SCHEMBL20107803 0.89 DHODH (1.00) DHODH
SCHEMBL28823331 0.88 DHODH (1.00) DHODH
SCHEMBL20107953 0.88 DHODH (1.00) DHODH
SCHEMBL28953431 0.88 DHODH (0.80) DHODH
SCHEMBL28953415 0.88 DHODH (0.78) DHODH
SCHEMBL20107806 0.87 DHODH (0.79) DHODH
SCHEMBL20107946 0.87 DHODH (0.81) 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
CN-115557907-A 2,4, 5-trisubstituted 1,2, 4-triazolones as DHODH inhibitors 拜耳股份有限公司 2023-01-03 CN claimed
CN-115557907-A 2,4, 5-trisubstituted 1,2, 4-triazolones as DHODH inhibitors 拜耳股份有限公司 2023-01-03 CN disclosed