SCHEMBL29510489

SCHEMBL29510489

C[C@H](Oc1cc(-n2nc3n(c2=O)CCCC3)c(F)cc1C(=O)Nc1c(F)cc(F)cc1F)C(F)(F)F

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
SCHEMBL20112575 1.00 DHODH (1.00) DHODH
SCHEMBL20112606 0.95 DHODH (1.00) DHODH
SCHEMBL29512992 0.94 DHODH (1.00) DHODH
SCHEMBL23186291 0.94 DHODH (1.00) DHODH
SCHEMBL29510010 0.94 DHODH (1.00) DHODH
SCHEMBL20112535 0.94 DHODH (1.00) DHODH
SCHEMBL20112730 0.93 DHODH (0.87) DHODH
SCHEMBL29512883 0.93 DHODH (0.87) DHODH
SCHEMBL20112186 0.93 DHODH (1.00) DHODH
SCHEMBL20112449 0.93 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-110248937-B 4, 5-Cyclic 1,2, 4-triazolones 拜耳股份有限公司 2022-03-29 CN claimed
CN-110248937-B 4, 5-Cyclic 1,2, 4-triazolones 拜耳股份有限公司 2022-03-29 CN disclosed