SCHEMBL28953443

SCHEMBL28953443

CCCn1c(C(=O)O)nn(-c2cc(O[C@@H](CF)C(F)F)c(C(=O)Nc3c(F)cccc3Cl)cc2F)c1=O

nearest known ligand 0.79

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 20/20 0.79

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
SCHEMBL28953417 0.94 DHODH (0.79) DHODH
SCHEMBL28953363 0.91 DHODH (0.78) DHODH
SCHEMBL28953465 0.91 DHODH (0.77) DHODH
SCHEMBL28953375 0.90 DHODH (0.79) DHODH
SCHEMBL28953433 0.89 DHODH (0.79) DHODH
SCHEMBL28953388 0.89 DHODH (0.77) DHODH
SCHEMBL21853401 0.88 DHODH (1.00) DHODH
SCHEMBL29815909 0.88 DHODH (1.00) DHODH
SCHEMBL20108050 0.88 DHODH (1.00) DHODH
SCHEMBL28953435 0.88 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