SCHEMBL28953452

SCHEMBL28953452

CCn1c(C(=O)O)nn(-c2ccc(C(=O)Nc3c(F)cccc3Cl)c(O[C@@H](CF)C(F)F)c2F)c1=O

nearest known ligand 0.78

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 20/20 0.78

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
SCHEMBL28953438 0.90 DHODH (0.77) DHODH
SCHEMBL21853437 0.87 DHODH (1.00) DHODH
SCHEMBL28953417 0.87 DHODH (0.79) DHODH
SCHEMBL20108060 0.87 DHODH (1.00) DHODH
SCHEMBL29815387 0.87 DHODH (1.00) DHODH
SCHEMBL28953427 0.86 DHODH (0.85) DHODH
SCHEMBL20108069 0.84 DHODH (0.78) DHODH
SCHEMBL28953363 0.84 DHODH (0.78) DHODH
SCHEMBL28953423 0.82 DHODH (0.77) DHODH
SCHEMBL28953443 0.82 DHODH (0.79) 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