SCHEMBL28823322

SCHEMBL28823322

CCC(C)c1nn(-c2cc(OC(C)C(F)(F)F)c(C(=O)Nc3c(F)cccc3F)cc2F)c(=O)n1C

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
SCHEMBL20107683 1.00 DHODH (1.00) DHODH
SCHEMBL29815425 1.00 DHODH (1.00) DHODH
SCHEMBL20107700 0.92 DHODH (1.00) DHODH
SCHEMBL20107697 0.92 DHODH (1.00) DHODH
SCHEMBL20108249 0.91 DHODH (1.00) DHODH
SCHEMBL20107932 0.90 DHODH (1.00) DHODH
SCHEMBL20107679 0.89 DHODH (0.81) DHODH
SCHEMBL29493463 0.89 DHODH (1.00) DHODH
SCHEMBL22713077 0.89 DHODH (1.00) DHODH
SCHEMBL20107949 0.89 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