SCHEMBL29815313

SCHEMBL29815313

CCn1c(C(=O)O)nn(-c2cc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc3c(C)cccc3F)cc2F)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 20/20 1.00

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
SCHEMBL20108170 1.00 DHODH (1.00) DHODH
SCHEMBL21853396 1.00 DHODH (1.00) DHODH
SCHEMBL21853362 0.95 DHODH (1.00) DHODH
SCHEMBL20108068 0.95 DHODH (1.00) DHODH
SCHEMBL21853400 0.92 DHODH (1.00) DHODH
SCHEMBL29815353 0.92 DHODH (1.00) DHODH
SCHEMBL20107998 0.92 DHODH (1.00) DHODH
SCHEMBL21853373 0.90 DHODH (1.00) DHODH
SCHEMBL20108171 0.90 DHODH (1.00) DHODH
SCHEMBL20108184 0.90 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110023302-B 2,4, 5-trisubstituted 1,2, 4-triazolones as DHODH inhibitors 拜耳股份有限公司 2022-07-26 CN claimed
CN-110023302-B 2,4, 5-trisubstituted 1,2, 4-triazolones as DHODH inhibitors 拜耳股份有限公司 2022-07-26 CN disclosed